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

C25H23NO — CID 1380991

IUPAC(15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1
InChIInChI=1S/C25H23NO/c1-15-11-12-23(16(2)13-15)26-25(27)22-14-21-17-7-3-5-9-19(17)24(22)20-10-6-4-8-18(20)21/h3-13,21-22,24H,14H2,1-2H3,(H,26,27)/t21?,22-,24?/m1/s1
InChIKeyPBTAZDVRUPKOCI-XERBYJISSA-N
MW353.47 g/mol
LogP5.54
Rot. Bonds2

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

(15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1380991) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (15R)-N-(2,4-dimethylphenyl)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-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1380991
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1
InChIInChI=1S/C25H23NO/c1-15-11-12-23(16(2)13-15)26-25(27)22-14-21-17-7-3-5-9-19(17)24(22)20-10-6-4-8-18(20)21/h3-13,21-22,24H,14H2,1-2H3,(H,26,27)/t21?,22-,24?/m1/s1
InChIKeyPBTAZDVRUPKOCI-XERBYJISSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 3104471
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
(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
1-N-(2-chlorophenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141508
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
(15S)-N-[2-(trifluoromethyl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331323
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
1-N-(2,4-dimethylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135349

Frequently Asked Questions

What is the IUPAC name of (15R)-N-(2,4-dimethylphenyl)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-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1380991) is (15R)-N-(2,4-dimethylphenyl)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-dimethylphenyl)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-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1.
What is the InChIKey of (15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is PBTAZDVRUPKOCI-XERBYJISSA-N. The full InChI is InChI=1S/C25H23NO/c1-15-11-12-23(16(2)13-15)26-25(27)22-14-21-17-7-3-5-9-19(17)24(22)20-10-6-4-8-18(20)21/h3-13,21-22,24H,14H2,1-2H3,(H,26,27)/t21?,22-,24?/m1/s1.
What are the key properties of (15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-N-(2,4-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1380991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).