N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide

C13H18N2O2 — CID 81484636

IUPACN-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C13H18N2O2/c1-9(16)10-5-4-6-11(7-10)15-12(17)13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,17)
InChIKeyGMUCWAIAKUDTBZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds4

About N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide

N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide (PubChem CID 81484636) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
PubChem CID81484636
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C13H18N2O2/c1-9(16)10-5-4-6-11(7-10)15-12(17)13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,17)
InChIKeyGMUCWAIAKUDTBZ-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438653
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide (CID 81484636) is N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide is CC(=O)c1cccc(NC(=O)C(C)(C)CN)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide?
The InChIKey is GMUCWAIAKUDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(16)10-5-4-6-11(7-10)15-12(17)13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide?
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide is sourced from PubChem (CID 81484636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).