N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide

C16H26ClN3O — CID 43295387

IUPACN-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C16H26ClN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-15-8-7-13(17)10-14(15)18/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyCPXXRJQIODYTEH-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.62
Rot. Bonds8

About N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide

N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide (PubChem CID 43295387) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
PubChem CID43295387
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C16H26ClN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-15-8-7-13(17)10-14(15)18/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyCPXXRJQIODYTEH-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.62
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-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide (CID 43295387) is N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide is CCC(C)CN(C)CCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The InChIKey is CPXXRJQIODYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-15-8-7-13(17)10-14(15)18/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide has a molecular weight of 311.86 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide is sourced from PubChem (CID 43295387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).