N-(2,2-diethoxyethyl)imidazole-1-carboxamide

C10H17N3O3 — CID 81269425

IUPACN-(2,2-diethoxyethyl)imidazole-1-carboxamide
SMILESCCOC(CNC(=O)n1ccnc1)OCC
InChIInChI=1S/C10H17N3O3/c1-3-15-9(16-4-2)7-12-10(14)13-6-5-11-8-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyNMWDYGXMZJNVKK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.84
Rot. Bonds6

About N-(2,2-diethoxyethyl)imidazole-1-carboxamide

N-(2,2-diethoxyethyl)imidazole-1-carboxamide (PubChem CID 81269425) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)imidazole-1-carboxamide
PubChem CID81269425
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2,2-diethoxyethyl)imidazole-1-carboxamide
SMILESCCOC(CNC(=O)n1ccnc1)OCC
InChIInChI=1S/C10H17N3O3/c1-3-15-9(16-4-2)7-12-10(14)13-6-5-11-8-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyNMWDYGXMZJNVKK-UHFFFAOYSA-N
XLogP0.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)imidazole-1-carboxamide (CID 81269425) is N-(2,2-diethoxyethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)imidazole-1-carboxamide is CCOC(CNC(=O)n1ccnc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)imidazole-1-carboxamide?
The InChIKey is NMWDYGXMZJNVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-15-9(16-4-2)7-12-10(14)13-6-5-11-8-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of N-(2,2-diethoxyethyl)imidazole-1-carboxamide?
N-(2,2-diethoxyethyl)imidazole-1-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)imidazole-1-carboxamide is sourced from PubChem (CID 81269425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).