N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide

C13H20ClN3O — CID 82224820

IUPACN-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)12(17(3)4)13(18)16-9-5-6-10(14)11(15)7-9/h5-8,12H,15H2,1-4H3,(H,16,18)
InChIKeyFUWVJGUDJRIWSS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.45
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide

N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide (PubChem CID 82224820) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
PubChem CID82224820
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)12(17(3)4)13(18)16-9-5-6-10(14)11(15)7-9/h5-8,12H,15H2,1-4H3,(H,16,18)
InChIKeyFUWVJGUDJRIWSS-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.45
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-methylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224835
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82733743
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide (CID 82224820) is N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N(C)C.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is FUWVJGUDJRIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)12(17(3)4)13(18)16-9-5-6-10(14)11(15)7-9/h5-8,12H,15H2,1-4H3,(H,16,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide?
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 2.45, 4 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-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 82224820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).