(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide

C24H23NO — CID 18556074

IUPAC(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C[C@@H]3c4ccccc4[C@@H]2[C@H]2C=CC=C[C@@H]23)c1
InChIInChI=1S/C24H23NO/c1-15-7-6-8-16(13-15)25-24(26)22-14-21-17-9-2-4-11-19(17)23(22)20-12-5-3-10-18(20)21/h2-13,17,19,21-23H,14H2,1H3,(H,25,26)/t17-,19-,21-,22+,23-/m0/s1
InChIKeyJWEBRMWWLLRABH-WNCSLHQUSA-N
MW341.45 g/mol
LogP5.19
Rot. Bonds2

About (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide

(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 18556074) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

Compound Name(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
PubChem CID18556074
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C[C@@H]3c4ccccc4[C@@H]2[C@H]2C=CC=C[C@@H]23)c1
InChIInChI=1S/C24H23NO/c1-15-7-6-8-16(13-15)25-24(26)22-14-21-17-9-2-4-11-19(17)23(22)20-12-5-3-10-18(20)21/h2-13,17,19,21-23H,14H2,1H3,(H,25,26)/t17-,19-,21-,22+,23-/m0/s1
InChIKeyJWEBRMWWLLRABH-WNCSLHQUSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide with MolForge

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Related Compounds

1-N-(2-fluorophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141026
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
2-N,3-N-bis(3-methylphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3104582
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
1-N-(3-methylphenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141020
6-[(3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4745378
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1R,2R,3S,4R)-3-[(3-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124681328

Frequently Asked Questions

What is the IUPAC name of (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide?
The IUPAC name of (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 18556074) is (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide.
What is the SMILES notation for (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide?
The canonical SMILES for (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide is Cc1cccc(NC(=O)[C@@H]2C[C@@H]3c4ccccc4[C@@H]2[C@H]2C=CC=C[C@@H]23)c1.
What is the InChIKey of (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide?
The InChIKey is JWEBRMWWLLRABH-WNCSLHQUSA-N. The full InChI is InChI=1S/C24H23NO/c1-15-7-6-8-16(13-15)25-24(26)22-14-21-17-9-2-4-11-19(17)23(22)20-12-5-3-10-18(20)21/h2-13,17,19,21-23H,14H2,1H3,(H,25,26)/t17-,19-,21-,22+,23-/m0/s1.
What are the key properties of (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide?
(1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9S,14S,15R)-N-(3-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 18556074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).