N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide

C16H24ClN3O — CID 61443934

IUPACN-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CCCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21)
InChIKeyIYYSTEUQJFJLHY-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.37
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide

N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide (PubChem CID 61443934) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
PubChem CID61443934
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CCCCC1
InChIInChI=1S/C16H24ClN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21)
InChIKeyIYYSTEUQJFJLHY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102860261
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide (CID 61443934) is N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(N)c1)CC1CCCCC1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The InChIKey is IYYSTEUQJFJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-13-7-8-14(17)15(18)9-13/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 61443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).