4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide

C15H21NO — CID 41098153

IUPAC4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H21NO/c1-11-6-8-13(9-7-11)15(17)16-14-5-3-4-12(2)10-14/h6-9,12,14H,3-5,10H2,1-2H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyRETFJFAJKJBJAY-TZMCWYRMSA-N
MW231.34 g/mol
LogP3.30
Rot. Bonds2

About 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide

4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide (PubChem CID 41098153) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
PubChem CID41098153
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H21NO/c1-11-6-8-13(9-7-11)15(17)16-14-5-3-4-12(2)10-14/h6-9,12,14H,3-5,10H2,1-2H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyRETFJFAJKJBJAY-TZMCWYRMSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
2-amino-N-(3-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667211
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide (CID 41098153) is 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide is Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide?
The InChIKey is RETFJFAJKJBJAY-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-8-13(9-7-11)15(17)16-14-5-3-4-12(2)10-14/h6-9,12,14H,3-5,10H2,1-2H3,(H,16,17)/t12-,14-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide?
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide has a molecular weight of 231.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 41098153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).