N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide

C17H25ClN2O — CID 119476760

IUPACN-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-11(2)16(12-4-3-5-13(18)10-12)17(21)20-15-8-6-14(19)7-9-15/h3-5,10-11,14-16H,6-9,19H2,1-2H3,(H,20,21)
InChIKeyACJBOBQZUTYVGI-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide (PubChem CID 119476760) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
PubChem CID119476760
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-11(2)16(12-4-3-5-13(18)10-12)17(21)20-15-8-6-14(19)7-9-15/h3-5,10-11,14-16H,6-9,19H2,1-2H3,(H,20,21)
InChIKeyACJBOBQZUTYVGI-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576369
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide (CID 119476760) is N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide is CC(C)C(C(=O)NC1CCC(N)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide?
The InChIKey is ACJBOBQZUTYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11(2)16(12-4-3-5-13(18)10-12)17(21)20-15-8-6-14(19)7-9-15/h3-5,10-11,14-16H,6-9,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide?
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 119476760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).