3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide

C16H24ClN3O — CID 79112697

IUPAC3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CCC(N)CC1
InChIInChI=1S/C16H24ClN3O/c1-20(13-8-6-12(18)7-9-13)11-10-16(21)19-15-5-3-2-4-14(15)17/h2-5,12-13H,6-11,18H2,1H3,(H,19,21)
InChIKeyODHFPYHAKSVNOK-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.87
Rot. Bonds5

About 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide

3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide (PubChem CID 79112697) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
PubChem CID79112697
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CCC(N)CC1
InChIInChI=1S/C16H24ClN3O/c1-20(13-8-6-12(18)7-9-13)11-10-16(21)19-15-5-3-2-4-14(15)17/h2-5,12-13H,6-11,18H2,1H3,(H,19,21)
InChIKeyODHFPYHAKSVNOK-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 116652756
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide (CID 79112697) is 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide is CN(CCC(=O)Nc1ccccc1Cl)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide?
The InChIKey is ODHFPYHAKSVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(13-8-6-12(18)7-9-13)11-10-16(21)19-15-5-3-2-4-14(15)17/h2-5,12-13H,6-11,18H2,1H3,(H,19,21).
What are the key properties of 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide?
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 79112697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).