3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide

C11H20N4O — CID 64686152

IUPAC3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-11(2,12)8-10(16)14-4-3-6-15-7-5-13-9-15/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,14,16)
InChIKeyCCXKSAYVUWKWNU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

About 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide

3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide (PubChem CID 64686152) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
PubChem CID64686152
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-11(2,12)8-10(16)14-4-3-6-15-7-5-13-9-15/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,14,16)
InChIKeyCCXKSAYVUWKWNU-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide 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

4-(4-imidazol-1-ylbutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299659
3-imidazol-1-ylpropylurea
CID 22179621
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide (CID 64686152) is 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCCCn1ccnc1.
What is the InChIKey of 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide?
The InChIKey is CCXKSAYVUWKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,12)8-10(16)14-4-3-6-15-7-5-13-9-15/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide?
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide is sourced from PubChem (CID 64686152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).