N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide

C12H22N4O — CID 119111442

IUPACN,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
SMILESCCN(CC)C(=O)CCCNCc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)12(17)6-5-7-13-10-11-14-8-9-15-11/h8-9,13H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyAOJWPSBIHBBGNM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.15
Rot. Bonds8

About N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide

N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide (PubChem CID 119111442) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
PubChem CID119111442
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
SMILESCCN(CC)C(=O)CCCNCc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)12(17)6-5-7-13-10-11-14-8-9-15-11/h8-9,13H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyAOJWPSBIHBBGNM-UHFFFAOYSA-N
XLogP1.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide 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 N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide?
The IUPAC name of N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide (CID 119111442) is N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide.
What is the SMILES notation for N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide?
The canonical SMILES for N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide is CCN(CC)C(=O)CCCNCc1ncc[nH]1.
What is the InChIKey of N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide?
The InChIKey is AOJWPSBIHBBGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-16(4-2)12(17)6-5-7-13-10-11-14-8-9-15-11/h8-9,13H,3-7,10H2,1-2H3,(H,14,15).
What are the key properties of N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide?
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide is sourced from PubChem (CID 119111442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).