2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide

C17H27N3O — CID 79117144

IUPAC2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide
SMILESCNC1CCC(N(C)CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-13-6-4-5-7-16(13)19-17(21)12-20(3)15-10-8-14(18-2)9-11-15/h4-7,14-15,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyDGXNKDYPJIVLOE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds5

About 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide

2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 79117144) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide
PubChem CID79117144
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide
SMILESCNC1CCC(N(C)CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-13-6-4-5-7-16(13)19-17(21)12-20(3)15-10-8-14(18-2)9-11-15/h4-7,14-15,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyDGXNKDYPJIVLOE-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
CID 47545412
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 43319569
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
CID 61450802
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide (CID 79117144) is 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide is CNC1CCC(N(C)CC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is DGXNKDYPJIVLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-6-4-5-7-16(13)19-17(21)12-20(3)15-10-8-14(18-2)9-11-15/h4-7,14-15,18H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide?
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 79117144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).