N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide

C23H29NO — CID 126621339

IUPACN-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21?,22-/m1/s1
InChIKeyIGJNFEGERSIBAW-PNWAUMQTSA-N
MW335.49 g/mol
LogP5.54
Rot. Bonds4

About N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide

N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide (PubChem CID 126621339) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
PubChem CID126621339
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21?,22-/m1/s1
InChIKeyIGJNFEGERSIBAW-PNWAUMQTSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
CID 175008628
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylthiourea
CID 6585213
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide?
The IUPAC name of N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide (CID 126621339) is N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide is CC(C)C1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide?
The InChIKey is IGJNFEGERSIBAW-PNWAUMQTSA-N. The full InChI is InChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21?,22-/m1/s1.
What are the key properties of N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide?
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide has a molecular weight of 335.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide is sourced from PubChem (CID 126621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).