3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione

C120H119F4IN12O24 — CID 157441199

IUPAC3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)cc2n1C(C=O)CC2.NC1CCC(O)C1.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(OCc4ccccc4)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C1c2c(OCc3ccccc3)c(=O)c(I)c3n2C(CC3)C2OC3CCC(C3)N12.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OC3CCC(C3)N12
InChIInChI=1S/C30H27F2N3O5.C23H21F2N3O5.C22H21IN2O4.C22H22N2O4.C18H17NO5.C5H11NO/c31-18-7-6-17(21(32)12-18)14-33-28(37)24-22-10-11-23-30-34(19-8-9-20(13-19)40-30)29(38)25(35(22)23)27(26(24)36)39-15-16-4-2-1-3-5-16;24-11-2-1-10(14(25)7-11)9-26-21(31)17-15-5-6-16-23-27(12-3-4-13(8-12)33-23)22(32)18(28(15)16)20(30)19(17)29;23-17-15-8-9-16-22-24(13-6-7-14(10-13)29-22)21(27)18(25(15)16)20(19(17)26)28-11-12-4-2-1-3-5-12;25-18-11-15-7-9-17-22-24(14-6-8-16(10-14)28-22)21(26)19(23(15)17)20(18)27-12-13-4-2-1-3-5-13;1-23-18(22)16-17(24-11-12-5-3-2-4-6-12)15(21)9-13-7-8-14(10-20)19(13)16;6-4-1-2-5(7)3-4/h1-7,12,19-20,23,30H,8-11,13-15H2,(H,33,37);1-2,7,12-13,16,23,30H,3-6,8-9H2,(H,26,31);1-5,13-14,16,22H,6-11H2;1-5,11,14,16-17,22H,6-10,12H2;2-6,9-10,14H,7-8,11H2,1H3;4-5,7H,1-3,6H2
InChIKeyBRRSIRIKTKUCQA-UHFFFAOYSA-N
MW2316.23 g/mol
LogP13.50
Rot. Bonds20

About 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione

3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione (PubChem CID 157441199) has the molecular formula C120H119F4IN12O24 and a molecular weight of 2316.23 g/mol. Its IUPAC name is 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
PubChem CID157441199
Molecular FormulaC120H119F4IN12O24
Molecular Weight2316.23 g/mol
Exact Mass2314.74
IUPAC Name3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)cc2n1C(C=O)CC2.NC1CCC(O)C1.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(OCc4ccccc4)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C1c2c(OCc3ccccc3)c(=O)c(I)c3n2C(CC3)C2OC3CCC(C3)N12.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OC3CCC(C3)N12
InChIInChI=1S/C30H27F2N3O5.C23H21F2N3O5.C22H21IN2O4.C22H22N2O4.C18H17NO5.C5H11NO/c31-18-7-6-17(21(32)12-18)14-33-28(37)24-22-10-11-23-30-34(19-8-9-20(13-19)40-30)29(38)25(35(22)23)27(26(24)36)39-15-16-4-2-1-3-5-16;24-11-2-1-10(14(25)7-11)9-26-21(31)17-15-5-6-16-23-27(12-3-4-13(8-12)33-23)22(32)18(28(15)16)20(30)19(17)29;23-17-15-8-9-16-22-24(13-6-7-14(10-13)29-22)21(27)18(25(15)16)20(19(17)26)28-11-12-4-2-1-3-5-12;25-18-11-15-7-9-17-22-24(14-6-8-16(10-14)28-22)21(26)19(23(15)17)20(18)27-12-13-4-2-1-3-5-13;1-23-18(22)16-17(24-11-12-5-3-2-4-6-12)15(21)9-13-7-8-14(10-20)19(13)16;6-4-1-2-5(7)3-4/h1-7,12,19-20,23,30H,8-11,13-15H2,(H,33,37);1-2,7,12-13,16,23,30H,3-6,8-9H2,(H,26,31);1-5,13-14,16,22H,6-11H2;1-5,11,14,16-17,22H,6-10,12H2;2-6,9-10,14H,7-8,11H2,1H3;4-5,7H,1-3,6H2
InChIKeyBRRSIRIKTKUCQA-UHFFFAOYSA-N
XLogP13.50
TPSA433.13 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.23
LogP ≤ 513.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The IUPAC name of 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione (CID 157441199) is 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione.
What is the SMILES notation for 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The canonical SMILES for 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione is COC(=O)c1c(OCc2ccccc2)c(=O)cc2n1C(C=O)CC2.NC1CCC(O)C1.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C(NCc1ccc(F)cc1F)c1c2n3c(c(OCc4ccccc4)c1=O)C(=O)N1C4CCC(C4)OC1C3CC2.O=C1c2c(OCc3ccccc3)c(=O)c(I)c3n2C(CC3)C2OC3CCC(C3)N12.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OC3CCC(C3)N12.
What is the InChIKey of 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The InChIKey is BRRSIRIKTKUCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N3O5.C23H21F2N3O5.C22H21IN2O4.C22H22N2O4.C18H17NO5.C5H11NO/c31-18-7-6-17(21(32)12-18)14-33-28(37)24-22-10-11-23-30-34(19-8-9-20(13-19)40-30)29(38)25(35(22)23)27(26(24)36)39-15-16-4-2-1-3-5-16;24-11-2-1-10(14(25)7-11)9-26-21(31)17-15-5-6-16-23-27(12-3-4-13(8-12)33-23)22(32)18(28(15)16)20(30)19(17)29;23-17-15-8-9-16-22-24(13-6-7-14(10-13)29-22)21(27)18(25(15)16)20(19(17)26)28-11-12-4-2-1-3-5-12;25-18-11-15-7-9-17-22-24(14-6-8-16(10-14)28-22)21(26)19(23(15)17)20(18)27-12-13-4-2-1-3-5-13;1-23-18(22)16-17(24-11-12-5-3-2-4-6-12)15(21)9-13-7-8-14(10-20)19(13)16;6-4-1-2-5(7)3-4/h1-7,12,19-20,23,30H,8-11,13-15H2,(H,33,37);1-2,7,12-13,16,23,30H,3-6,8-9H2,(H,26,31);1-5,13-14,16,22H,6-11H2;1-5,11,14,16-17,22H,6-10,12H2;2-6,9-10,14H,7-8,11H2,1H3;4-5,7H,1-3,6H2.
What are the key properties of 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione has a molecular weight of 2316.23 g/mol, XLogP of 13.50, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione is sourced from PubChem (CID 157441199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).