2-amino-N-(1-ethylimidazol-2-yl)butanamide

C9H16N4O — CID 131165493

IUPAC2-amino-N-(1-ethylimidazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nccn1CC
InChIInChI=1S/C9H16N4O/c1-3-7(10)8(14)12-9-11-5-6-13(9)4-2/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)
InChIKeyVEUYCUNEFBMWLD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-N-(1-ethylimidazol-2-yl)butanamide

2-amino-N-(1-ethylimidazol-2-yl)butanamide (PubChem CID 131165493) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(1-ethylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylimidazol-2-yl)butanamide
PubChem CID131165493
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-(1-ethylimidazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nccn1CC
InChIInChI=1S/C9H16N4O/c1-3-7(10)8(14)12-9-11-5-6-13(9)4-2/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)
InChIKeyVEUYCUNEFBMWLD-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(1-ethylimidazol-2-yl)butanamide 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

2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157
2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
CID 119738614
4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
CID 103153802
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
methyl (4S)-4-amino-5-[(1-methylimidazol-2-yl)amino]-5-oxopentanoate
CID 57173939
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylimidazol-2-yl)butanamide?
The IUPAC name of 2-amino-N-(1-ethylimidazol-2-yl)butanamide (CID 131165493) is 2-amino-N-(1-ethylimidazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1-ethylimidazol-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(1-ethylimidazol-2-yl)butanamide is CCC(N)C(=O)Nc1nccn1CC.
What is the InChIKey of 2-amino-N-(1-ethylimidazol-2-yl)butanamide?
The InChIKey is VEUYCUNEFBMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7(10)8(14)12-9-11-5-6-13(9)4-2/h5-7H,3-4,10H2,1-2H3,(H,11,12,14).
What are the key properties of 2-amino-N-(1-ethylimidazol-2-yl)butanamide?
2-amino-N-(1-ethylimidazol-2-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylimidazol-2-yl)butanamide is sourced from PubChem (CID 131165493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).