(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C25H23NO3 — CID 1233540

IUPAC(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1
InChIInChI=1S/C25H23NO3/c1-28-15-11-12-22(23(13-15)29-2)26-25(27)21-14-20-16-7-3-5-9-18(16)24(21)19-10-6-4-8-17(19)20/h3-13,20-21,24H,14H2,1-2H3,(H,26,27)/t20?,21-,24?/m1/s1
InChIKeyFZWIRCCRRKSIQA-ZPGVXSSASA-N
MW385.46 g/mol
LogP4.94
Rot. Bonds4

About (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1233540) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1233540
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1
InChIInChI=1S/C25H23NO3/c1-28-15-11-12-22(23(13-15)29-2)26-25(27)21-14-20-16-7-3-5-9-18(16)24(21)19-10-6-4-8-17(19)20/h3-13,20-21,24H,14H2,1-2H3,(H,26,27)/t20?,21-,24?/m1/s1
InChIKeyFZWIRCCRRKSIQA-ZPGVXSSASA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

(15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1380991
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
2-N-(4-acetamidophenyl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143673
6-[(2,4-dimethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17379150
2-N-(2,4-dimethoxyphenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141778
2-N-(2,4-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141613
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065

Frequently Asked Questions

What is the IUPAC name of (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1233540) is (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is COc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1.
What is the InChIKey of (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is FZWIRCCRRKSIQA-ZPGVXSSASA-N. The full InChI is InChI=1S/C25H23NO3/c1-28-15-11-12-22(23(13-15)29-2)26-25(27)21-14-20-16-7-3-5-9-18(16)24(21)19-10-6-4-8-17(19)20/h3-13,20-21,24H,14H2,1-2H3,(H,26,27)/t20?,21-,24?/m1/s1.
What are the key properties of (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-N-(2,4-dimethoxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1233540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).