(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C25H23NO2 — CID 1101019

IUPAC(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C25H23NO2/c1-25(24(27)26-16-11-13-17(28-2)14-12-16)15-22-18-7-3-5-9-20(18)23(25)21-10-6-4-8-19(21)22/h3-14,22-23H,15H2,1-2H3,(H,26,27)/t22?,23?,25-/m0/s1
InChIKeyGJMKSXYPLJJRQQ-RVMZIBIISA-N
MW369.46 g/mol
LogP5.32
Rot. Bonds3

About (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1101019) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1101019
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCOc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C25H23NO2/c1-25(24(27)26-16-11-13-17(28-2)14-12-16)15-22-18-7-3-5-9-20(18)23(25)21-10-6-4-8-19(21)22/h3-14,22-23H,15H2,1-2H3,(H,26,27)/t22?,23?,25-/m0/s1
InChIKeyGJMKSXYPLJJRQQ-RVMZIBIISA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[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-(4-chlorophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101014
(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
(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331415
N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595980
N-(2,3-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595977
(1R,2R,4R)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11871911
(1R,2R,4S)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98122213
N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10006257
N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10368117
N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 23596193
15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595987
2-butan-2-yl-N-(4-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 70611289

Frequently Asked Questions

What is the IUPAC name of (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1101019) is (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is COc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is GJMKSXYPLJJRQQ-RVMZIBIISA-N. The full InChI is InChI=1S/C25H23NO2/c1-25(24(27)26-16-11-13-17(28-2)14-12-16)15-22-18-7-3-5-9-20(18)23(25)21-10-6-4-8-19(21)22/h3-14,22-23H,15H2,1-2H3,(H,26,27)/t22?,23?,25-/m0/s1.
What are the key properties of (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1101019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).