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

C17H27N3O — CID 79114144

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-10-6-14(18)7-11-16)12-17(21)19-15-8-4-13(2)5-9-15/h4-5,8-9,14,16H,3,6-7,10-12,18H2,1-2H3,(H,19,21)
InChIKeyAXACBDXXKJCBBD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds5

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

2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide (PubChem CID 79114144) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
PubChem CID79114144
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H27N3O/c1-3-20(16-10-6-14(18)7-11-16)12-17(21)19-15-8-4-13(2)5-9-15/h4-5,8-9,14,16H,3,6-7,10-12,18H2,1-2H3,(H,19,21)
InChIKeyAXACBDXXKJCBBD-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-(3-methylphenyl)acetamide
CID 79113681
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55682363
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide (CID 79114144) is 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is AXACBDXXKJCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(16-10-6-14(18)7-11-16)12-17(21)19-15-8-4-13(2)5-9-15/h4-5,8-9,14,16H,3,6-7,10-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide?
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 79114144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).