2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide

C11H20N4O — CID 119857841

IUPAC2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
SMILESCc1nccn1CC(C)CNC(=O)C(C)N
InChIInChI=1S/C11H20N4O/c1-8(6-14-11(16)9(2)12)7-15-5-4-13-10(15)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16)
InChIKeyUCUYZQJYTFDGJW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide

2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide (PubChem CID 119857841) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
PubChem CID119857841
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
SMILESCc1nccn1CC(C)CNC(=O)C(C)N
InChIInChI=1S/C11H20N4O/c1-8(6-14-11(16)9(2)12)7-15-5-4-13-10(15)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16)
InChIKeyUCUYZQJYTFDGJW-UHFFFAOYSA-N
XLogP0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
2-(2,4-dichlorophenoxy)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 60559289
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide (CID 119857841) is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide is Cc1nccn1CC(C)CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The InChIKey is UCUYZQJYTFDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(6-14-11(16)9(2)12)7-15-5-4-13-10(15)3/h4-5,8-9H,6-7,12H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 119857841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).