2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide

C24H24N4O5 — CID 4886535

IUPAC2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O
InChIInChI=1S/C24H24N4O5/c1-13(21(29)26-16-7-5-6-8-18(16)31-4)28-12-25-19-15-9-14-11-32-24(2,3)10-17(14)27-22(15)33-20(19)23(28)30/h5-9,12-13H,10-11H2,1-4H3,(H,26,29)
InChIKeyNNLSAJWPCMMTIG-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.60
Rot. Bonds4

About 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide

2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 4886535) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID4886535
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O
InChIInChI=1S/C24H24N4O5/c1-13(21(29)26-16-7-5-6-8-18(16)31-4)28-12-25-19-15-9-14-11-32-24(2,3)10-17(14)27-22(15)33-20(19)23(28)30/h5-9,12-13H,10-11H2,1-4H3,(H,26,29)
InChIKeyNNLSAJWPCMMTIG-UHFFFAOYSA-N
XLogP3.60
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide with MolForge

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Related Compounds

5,5-dimethyl-14-(2-phenylethyl)-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
CID 4886721
14-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
CID 4891191
14-hexadecyl-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
CID 4891042
N-(2-methoxyphenyl)-2-(4,4,8-trimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-14-yl)acetamide
CID 42536378
3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23409712
2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide
CID 44638176
N-(2-methoxyphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638161
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 110430033
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884
2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1251131
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 92892791
ethyl 3-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7454012

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide (CID 4886535) is 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)n1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O.
What is the InChIKey of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is NNLSAJWPCMMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-13(21(29)26-16-7-5-6-8-18(16)31-4)28-12-25-19-15-9-14-11-32-24(2,3)10-17(14)27-22(15)33-20(19)23(28)30/h5-9,12-13H,10-11H2,1-4H3,(H,26,29).
What are the key properties of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide?
2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 448.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 4886535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).