N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide

C12H21N3O3 — CID 82961251

IUPACN,N-bis(2-ethoxyethyl)imidazole-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)n1ccnc1
InChIInChI=1S/C12H21N3O3/c1-3-17-9-7-14(8-10-18-4-2)12(16)15-6-5-13-11-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyNUGWGZPXSCWVHG-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.23
Rot. Bonds8

About N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide

N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide (PubChem CID 82961251) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)imidazole-1-carboxamide
PubChem CID82961251
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN,N-bis(2-ethoxyethyl)imidazole-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)n1ccnc1
InChIInChI=1S/C12H21N3O3/c1-3-17-9-7-14(8-10-18-4-2)12(16)15-6-5-13-11-15/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyNUGWGZPXSCWVHG-UHFFFAOYSA-N
XLogP1.23
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide 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-bis(2-ethoxyethyl)imidazole-1-carboxamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide (CID 82961251) is N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide is CCOCCN(CCOCC)C(=O)n1ccnc1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide?
The InChIKey is NUGWGZPXSCWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-17-9-7-14(8-10-18-4-2)12(16)15-6-5-13-11-15/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide?
N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide is sourced from PubChem (CID 82961251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).