N,N-diethylimidazole-1-carboxamide

C8H13N3O — CID 551772

IUPACN,N-diethylimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-10(4-2)8(12)11-6-5-9-7-11/h5-7H,3-4H2,1-2H3
InChIKeyVQCFHSYRTHOEFO-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.19
Rot. Bonds2

About N,N-diethylimidazole-1-carboxamide

N,N-diethylimidazole-1-carboxamide (PubChem CID 551772) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N,N-diethylimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethylimidazole-1-carboxamide
PubChem CID551772
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN,N-diethylimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-10(4-2)8(12)11-6-5-9-7-11/h5-7H,3-4H2,1-2H3
InChIKeyVQCFHSYRTHOEFO-UHFFFAOYSA-N
XLogP1.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-Imidazol-1-yl)ethanone
CID 17174
1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1,1'-Carbonyldiimidazole
CID 68263
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Ethyl-3-methylimidazolium chloride
CID 2734160
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008

Frequently Asked Questions

What is the IUPAC name of N,N-diethylimidazole-1-carboxamide?
The IUPAC name of N,N-diethylimidazole-1-carboxamide (CID 551772) is N,N-diethylimidazole-1-carboxamide.
What is the SMILES notation for N,N-diethylimidazole-1-carboxamide?
The canonical SMILES for N,N-diethylimidazole-1-carboxamide is CCN(CC)C(=O)n1ccnc1.
What is the InChIKey of N,N-diethylimidazole-1-carboxamide?
The InChIKey is VQCFHSYRTHOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-10(4-2)8(12)11-6-5-9-7-11/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethylimidazole-1-carboxamide?
N,N-diethylimidazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylimidazole-1-carboxamide is sourced from PubChem (CID 551772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).