17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

C32H41NO3 — CID 123600766

IUPAC17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)C24CCCCC2C(C3)C(C(C)C2CC2)CC4)c(OC)c1
InChIInChI=1S/C32H41NO3/c1-20(21-7-8-21)26-13-15-32-14-5-4-6-28(32)27(26)16-22-9-10-23(17-29(22)32)31(34)33-19-24-11-12-25(35-2)18-30(24)36-3/h9-12,17-18,20-21,26-28H,4-8,13-16,19H2,1-3H3,(H,33,34)
InChIKeyYWNLRZUZEKAXGB-UHFFFAOYSA-N
MW487.68 g/mol
LogP6.69
Rot. Bonds7

About 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (PubChem CID 123600766) has the molecular formula C32H41NO3 and a molecular weight of 487.68 g/mol. Its IUPAC name is 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
PubChem CID123600766
Molecular FormulaC32H41NO3
Molecular Weight487.68 g/mol
Exact Mass487.31
IUPAC Name17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)C24CCCCC2C(C3)C(C(C)C2CC2)CC4)c(OC)c1
InChIInChI=1S/C32H41NO3/c1-20(21-7-8-21)26-13-15-32-14-5-4-6-28(32)27(26)16-22-9-10-23(17-29(22)32)31(34)33-19-24-11-12-25(35-2)18-30(24)36-3/h9-12,17-18,20-21,26-28H,4-8,13-16,19H2,1-3H3,(H,33,34)
InChIKeyYWNLRZUZEKAXGB-UHFFFAOYSA-N
XLogP6.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide with MolForge

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Related Compounds

(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 170191844
N-[(2,4-dimethoxyphenyl)methyl]-4-ethyl-3-[(2S,3S)-1,2,3-trimethylcyclohexyl]benzamide
CID 144749090
(5S)-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxamide
CID 143171962
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
(1S,9S,10S)-17-[(1R)-1-cyclobutylethyl]-13-oxotetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 134185104
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
(1R,9S)-17-[(2R)-pentan-2-yl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 163481967
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093

Frequently Asked Questions

What is the IUPAC name of 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (CID 123600766) is 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)C24CCCCC2C(C3)C(C(C)C2CC2)CC4)c(OC)c1.
What is the InChIKey of 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The InChIKey is YWNLRZUZEKAXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO3/c1-20(21-7-8-21)26-13-15-32-14-5-4-6-28(32)27(26)16-22-9-10-23(17-29(22)32)31(34)33-19-24-11-12-25(35-2)18-30(24)36-3/h9-12,17-18,20-21,26-28H,4-8,13-16,19H2,1-3H3,(H,33,34).
What are the key properties of 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide has a molecular weight of 487.68 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 123600766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).