2-ethyl-N,N-dimethylimidazole-1-carboxamide

C8H13N3O — CID 110459897

IUPAC2-ethyl-N,N-dimethylimidazole-1-carboxamide
SMILESCCc1nccn1C(=O)N(C)C
InChIInChI=1S/C8H13N3O/c1-4-7-9-5-6-11(7)8(12)10(2)3/h5-6H,4H2,1-3H3
InChIKeyGZCXGWIGORMZFB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds1

About 2-ethyl-N,N-dimethylimidazole-1-carboxamide

2-ethyl-N,N-dimethylimidazole-1-carboxamide (PubChem CID 110459897) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethylimidazole-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,N-dimethylimidazole-1-carboxamide
PubChem CID110459897
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-ethyl-N,N-dimethylimidazole-1-carboxamide
SMILESCCc1nccn1C(=O)N(C)C
InChIInChI=1S/C8H13N3O/c1-4-7-9-5-6-11(7)8(12)10(2)3/h5-6H,4H2,1-3H3
InChIKeyGZCXGWIGORMZFB-UHFFFAOYSA-N
XLogP0.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
CID 91609841
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethylimidazole-1-carboxamide?
The IUPAC name of 2-ethyl-N,N-dimethylimidazole-1-carboxamide (CID 110459897) is 2-ethyl-N,N-dimethylimidazole-1-carboxamide.
What is the SMILES notation for 2-ethyl-N,N-dimethylimidazole-1-carboxamide?
The canonical SMILES for 2-ethyl-N,N-dimethylimidazole-1-carboxamide is CCc1nccn1C(=O)N(C)C.
What is the InChIKey of 2-ethyl-N,N-dimethylimidazole-1-carboxamide?
The InChIKey is GZCXGWIGORMZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-7-9-5-6-11(7)8(12)10(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethylimidazole-1-carboxamide?
2-ethyl-N,N-dimethylimidazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethylimidazole-1-carboxamide is sourced from PubChem (CID 110459897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).