N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride

C17H27ClN2O — CID 119474856

IUPACN-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)16(13-6-4-3-5-7-13)17(20)19-15-10-8-14(18)9-11-15;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyAZBCZKFZFOAEGZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.23
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride

N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride (PubChem CID 119474856) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
PubChem CID119474856
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)16(13-6-4-3-5-7-13)17(20)19-15-10-8-14(18)9-11-15;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyAZBCZKFZFOAEGZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride (CID 119474856) is N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride is CC(C)C(C(=O)NC1CCC(N)CC1)c1ccccc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The InChIKey is AZBCZKFZFOAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12(2)16(13-6-4-3-5-7-13)17(20)19-15-10-8-14(18)9-11-15;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119474856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).