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

C14H20Cl2N2O2 — CID 119629073

IUPACN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/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);1H
InChIKeyQDZRPPMRKRIWSD-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.58
Rot. Bonds6

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

N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119629073) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119629073
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/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);1H
InChIKeyQDZRPPMRKRIWSD-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
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-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
CID 119626874
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 108808131
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119574756
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 108808125
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (CID 119629073) is N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is CC(C)(N)CNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is QDZRPPMRKRIWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/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);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.58, 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;hydrochloride is sourced from PubChem (CID 119629073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).