N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide

C18H28N2O — CID 67968203

IUPACN-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-6-7-11-17(15)19-13-12-18(21)20(2)14-16-9-4-3-5-10-16/h6-8,11,16,19H,3-5,9-10,12-14H2,1-2H3
InChIKeyZDWNTPQTKNARGZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.84
Rot. Bonds6

About N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide

N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide (PubChem CID 67968203) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide
PubChem CID67968203
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-6-7-11-17(15)19-13-12-18(21)20(2)14-16-9-4-3-5-10-16/h6-8,11,16,19H,3-5,9-10,12-14H2,1-2H3
InChIKeyZDWNTPQTKNARGZ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
CID 119704430
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
methyl 3-(2-methylanilino)propanoate
CID 12805940
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
3-[N-(cyclohexylmethyl)-2-methylanilino]propanoic acid
CID 60838743

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide (CID 67968203) is N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide is Cc1ccccc1NCCC(=O)N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide?
The InChIKey is ZDWNTPQTKNARGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-8-6-7-11-17(15)19-13-12-18(21)20(2)14-16-9-4-3-5-10-16/h6-8,11,16,19H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide?
N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide is sourced from PubChem (CID 67968203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).