N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide

C14H19ClN2O2 — CID 119629074

IUPACN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,16)9-17-13(19)8-7-12(18)10-3-5-11(15)6-4-10/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyXCKWNGKXXAZBSX-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.16
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 119629074) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID119629074
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,16)9-17-13(19)8-7-12(18)10-3-5-11(15)6-4-10/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyXCKWNGKXXAZBSX-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
CID 119626874
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 108808131
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 108808125
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
4-[3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]prop-1-ynyl]benzamide
CID 90549694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 119629074) is N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide is CC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is XCKWNGKXXAZBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,16)9-17-13(19)8-7-12(18)10-3-5-11(15)6-4-10/h3-6H,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 282.77 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).