3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide

C12H17N3O2 — CID 62671203

IUPAC3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(7-13)12(17)15-10-4-2-9(3-5-10)6-11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyIKAZQWIYZWWBTJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.25
Rot. Bonds5

About 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide

3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide (PubChem CID 62671203) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
PubChem CID62671203
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(7-13)12(17)15-10-4-2-9(3-5-10)6-11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyIKAZQWIYZWWBTJ-UHFFFAOYSA-N
XLogP0.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide 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

(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide (CID 62671203) is 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide is CC(CN)C(=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide?
The InChIKey is IKAZQWIYZWWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(7-13)12(17)15-10-4-2-9(3-5-10)6-11(14)16/h2-5,8H,6-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide?
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 62671203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).