N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide

C18H27NO — CID 166211866

IUPACN-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NC2(C)CCC(C)CC2)c1
InChIInChI=1S/C18H27NO/c1-13-8-10-18(4,11-9-13)19-17(20)15(3)16-7-5-6-14(2)12-16/h5-7,12-13,15H,8-11H2,1-4H3,(H,19,20)
InChIKeyVFGCFIFNVTVESY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.18
Rot. Bonds3

About N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide

N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide (PubChem CID 166211866) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide
PubChem CID166211866
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NC2(C)CCC(C)CC2)c1
InChIInChI=1S/C18H27NO/c1-13-8-10-18(4,11-9-13)19-17(20)15(3)16-7-5-6-14(2)12-16/h5-7,12-13,15H,8-11H2,1-4H3,(H,19,20)
InChIKeyVFGCFIFNVTVESY-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide
CID 106591816
3-amino-N-(1,4-dimethylcyclohexyl)benzamide
CID 119765803
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
CID 111696460
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
sodium 2-(3-methylphenyl)propanoate
CID 23706698
3-amino-N-(1,4-dimethylcyclohexyl)-2-methylbutanamide;hydrochloride
CID 120500050
4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 43341722
methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116959191
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
CID 111441141

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide (CID 166211866) is N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide is Cc1cccc(C(C)C(=O)NC2(C)CCC(C)CC2)c1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide?
The InChIKey is VFGCFIFNVTVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-8-10-18(4,11-9-13)19-17(20)15(3)16-7-5-6-14(2)12-16/h5-7,12-13,15H,8-11H2,1-4H3,(H,19,20).
What are the key properties of N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide?
N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide has a molecular weight of 273.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 166211866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).