N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

C16H24N2O2 — CID 119628325

IUPACN-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(9-11)14(19)7-8-15(20)18-10-16(3,4)17/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,20)
InChIKeyLHZRDIBOXBVEAP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 119628325) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID119628325
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(9-11)14(19)7-8-15(20)18-10-16(3,4)17/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,20)
InChIKeyLHZRDIBOXBVEAP-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
CID 111428870
1-tert-butyl-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea
CID 9425632
3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiolane-3-carboxylic acid
CID 120688537
2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 120687054
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
(2S)-2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119359794
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364
N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
CID 94273837
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 119628325) is N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is LHZRDIBOXBVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(9-11)14(19)7-8-15(20)18-10-16(3,4)17/h5-6,9H,7-8,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.12, 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-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 119628325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).