2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide

C17H27N3O — CID 79113681

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C)c1)C1CCC(N)CC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12,18H2,1-2H3,(H,19,21)
InChIKeyNKNQTYUTCLXVJP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide

2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide (PubChem CID 79113681) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
PubChem CID79113681
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C)c1)C1CCC(N)CC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12,18H2,1-2H3,(H,19,21)
InChIKeyNKNQTYUTCLXVJP-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
(4-aminocyclohexyl) N-(3-methylphenyl)carbamate
CID 79337441
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
CID 79115256

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide (CID 79113681) is 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide is CCN(CC(=O)Nc1cccc(C)c1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is NKNQTYUTCLXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,16H,3,7-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide?
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 79113681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).