ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate

C27H28N2O5 — CID 146515253

IUPACethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2C(C)C
InChIInChI=1S/C27H28N2O5/c1-4-32-27(31)21-15-29-22(13-23(21)30)25-19(14-28(29)17(2)3)12-24(26-20(25)10-11-33-26)34-16-18-8-6-5-7-9-18/h5-9,12-13,15,17H,4,10-11,14,16H2,1-3H3
InChIKeyJYIYVSIKLFGLKB-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.07
Rot. Bonds6

About ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate

ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate (PubChem CID 146515253) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
PubChem CID146515253
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Nameethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2C(C)C
InChIInChI=1S/C27H28N2O5/c1-4-32-27(31)21-15-29-22(13-23(21)30)25-19(14-28(29)17(2)3)12-24(26-20(25)10-11-33-26)34-16-18-8-6-5-7-9-18/h5-9,12-13,15,17H,4,10-11,14,16H2,1-3H3
InChIKeyJYIYVSIKLFGLKB-UHFFFAOYSA-N
XLogP4.07
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515260
ethyl 1-(3-hydroxybutan-2-yl)-4-oxo-6-(2-phenylmethoxyphenyl)pyridine-3-carboxylate
CID 158947282
10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 166680335
ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
CID 162350248
ethyl 10-methoxy-6,6-dimethyl-2-oxo-9-phenylmethoxy-7H-benzo[a]quinolizine-3-carboxylate
CID 135313905
ethyl 2-oxo-9-phenylmethoxy-10-pyrrolidin-1-ylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313244
ethyl (5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-7-yl) carbonate
CID 22364456
ethyl 9-methoxy-3,3-dimethyl-14-oxo-8-phenylmethoxy-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylate
CID 142409318
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 10-(methylamino)-2-oxo-9-phenylmethoxyspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135313652
ethyl (6R)-10-chloro-3,3-dimethyl-15-oxo-9-phenylmethoxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate
CID 140905883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The IUPAC name of ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate (CID 146515253) is ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate.
What is the SMILES notation for ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The canonical SMILES for ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2C(C)C.
What is the InChIKey of ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The InChIKey is JYIYVSIKLFGLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-4-32-27(31)21-15-29-22(13-23(21)30)25-19(14-28(29)17(2)3)12-24(26-20(25)10-11-33-26)34-16-18-8-6-5-7-9-18/h5-9,12-13,15,17H,4,10-11,14,16H2,1-3H3.
What are the key properties of ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate is sourced from PubChem (CID 146515253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).