(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H25NO — CID 1331415

IUPAC(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C26H25NO/c1-16-12-17(2)14-18(13-16)27-25(28)26(3)15-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-14,23-24H,15H2,1-3H3,(H,27,28)/t23?,24?,26-/m0/s1
InChIKeyQNXUJPMIKVLWKD-RSMFLLDRSA-N
MW367.49 g/mol
LogP5.93
Rot. Bonds2

About (15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1331415) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (15S)-N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1331415
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C26H25NO/c1-16-12-17(2)14-18(13-16)27-25(28)26(3)15-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-14,23-24H,15H2,1-3H3,(H,27,28)/t23?,24?,26-/m0/s1
InChIKeyQNXUJPMIKVLWKD-RSMFLLDRSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (15S)-N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1331415) is (15S)-N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1cc(C)cc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1.
What is the InChIKey of (15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is QNXUJPMIKVLWKD-RSMFLLDRSA-N. The full InChI is InChI=1S/C26H25NO/c1-16-12-17(2)14-18(13-16)27-25(28)26(3)15-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-14,23-24H,15H2,1-3H3,(H,27,28)/t23?,24?,26-/m0/s1.
What are the key properties of (15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-N-(3,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1331415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).