(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H25NO — CID 1238493

IUPAC(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H25NO/c1-3-18-23-19-8-4-6-10-21(19)24(22-11-7-5-9-20(22)23)25(18)26(28)27-17-14-12-16(2)13-15-17/h4-15,18,23-25H,3H2,1-2H3,(H,27,28)/t18-,23?,24?,25+/m0/s1
InChIKeyJFBRSUFLLSAEPK-VLXQJXAPSA-N
MW367.49 g/mol
LogP5.87
Rot. Bonds3

About (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1238493) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1238493
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H25NO/c1-3-18-23-19-8-4-6-10-21(19)24(22-11-7-5-9-20(22)23)25(18)26(28)27-17-14-12-16(2)13-15-17/h4-15,18,23-25H,3H2,1-2H3,(H,27,28)/t18-,23?,24?,25+/m0/s1
InChIKeyJFBRSUFLLSAEPK-VLXQJXAPSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (15R,16S)-16-ethyl-N-(4-methylphenyl)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

(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1238678
(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 7046409
16-[(4-ethoxycarbonylphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 3764153
16-[(4-ethoxyphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2838145
(1S,2S,5S,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 11911077
(1S,2S,5R,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylate
CID 11911074
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
N-(4-methylphenyl)acetamide
CID 7684
(1S,2R,3S,4R)-3-[(4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10707400

Frequently Asked Questions

What is the IUPAC name of (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1238493) is (15R,16S)-16-ethyl-N-(4-methylphenyl)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,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is JFBRSUFLLSAEPK-VLXQJXAPSA-N. The full InChI is InChI=1S/C26H25NO/c1-3-18-23-19-8-4-6-10-21(19)24(22-11-7-5-9-20(22)23)25(18)26(28)27-17-14-12-16(2)13-15-17/h4-15,18,23-25H,3H2,1-2H3,(H,27,28)/t18-,23?,24?,25+/m0/s1.
What are the key properties of (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[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 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1238493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).