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

C26H25NO — CID 3104475

IUPACN-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C26H25NO/c1-16-12-13-17(2)23(14-16)27-25(28)26(3)15-22-18-8-4-6-10-20(18)24(26)21-11-7-5-9-19(21)22/h4-14,22,24H,15H2,1-3H3,(H,27,28)
InChIKeyQSCPGBISISMWAN-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.93
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 3104475) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID3104475
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC NameN-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1
InChIInChI=1S/C26H25NO/c1-16-12-13-17(2)23(14-16)27-25(28)26(3)15-22-18-8-4-6-10-20(18)24(26)21-11-7-5-9-19(21)22/h4-14,22,24H,15H2,1-3H3,(H,27,28)
InChIKeyQSCPGBISISMWAN-UHFFFAOYSA-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 N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 3104475) is N-(2,5-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 N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1ccc(C)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is QSCPGBISISMWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-16-12-13-17(2)23(14-16)27-25(28)26(3)15-22-18-8-4-6-10-20(18)24(26)21-11-7-5-9-19(21)22/h4-14,22,24H,15H2,1-3H3,(H,27,28).
What are the key properties of N-(2,5-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(2,5-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 N-(2,5-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 3104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).