3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide

C12H22N4O2 — CID 155250121

IUPAC3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCn1cncc1CC(CO)NC(=O)C(C)(C)CN
InChIInChI=1S/C12H22N4O2/c1-12(2,7-13)11(18)15-9(6-17)4-10-5-14-8-16(10)3/h5,8-9,17H,4,6-7,13H2,1-3H3,(H,15,18)
InChIKeyNIERWXKDJHXPKY-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.58
Rot. Bonds6

About 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide

3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 155250121) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID155250121
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCn1cncc1CC(CO)NC(=O)C(C)(C)CN
InChIInChI=1S/C12H22N4O2/c1-12(2,7-13)11(18)15-9(6-17)4-10-5-14-8-16(10)3/h5,8-9,17H,4,6-7,13H2,1-3H3,(H,15,18)
InChIKeyNIERWXKDJHXPKY-UHFFFAOYSA-N
XLogP-0.58
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide (CID 155250121) is 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide is Cn1cncc1CC(CO)NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NIERWXKDJHXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,7-13)11(18)15-9(6-17)4-10-5-14-8-16(10)3/h5,8-9,17H,4,6-7,13H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide?
3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 254.33 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-hydroxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155250121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).