N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide

C15H23ClN2O — CID 81484430

IUPACN-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)14(17)8-9-18(3)15(19)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyAOOYYZKYYKUDJO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.71
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 81484430) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID81484430
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)14(17)8-9-18(3)15(19)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyAOOYYZKYYKUDJO-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
N-(3-amino-4-methylpentyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylacetamide;hydrochloride
CID 119658902
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 119661014
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide (CID 81484430) is N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is AOOYYZKYYKUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)14(17)8-9-18(3)15(19)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 282.81 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 81484430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).