3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide

C16H31N3O — CID 18974677

IUPAC3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide
SMILESCCCCCCCCCCN1C=CN(C(=O)N(C)C)C1
InChIInChI=1S/C16H31N3O/c1-4-5-6-7-8-9-10-11-12-18-13-14-19(15-18)16(20)17(2)3/h13-14H,4-12,15H2,1-3H3
InChIKeyGTVKGDGUAOHJED-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.86
Rot. Bonds9

About 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide

3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide (PubChem CID 18974677) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide.

Molecular Properties

Compound Name3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide
PubChem CID18974677
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide
SMILESCCCCCCCCCCN1C=CN(C(=O)N(C)C)C1
InChIInChI=1S/C16H31N3O/c1-4-5-6-7-8-9-10-11-12-18-13-14-19(15-18)16(20)17(2)3/h13-14H,4-12,15H2,1-3H3
InChIKeyGTVKGDGUAOHJED-UHFFFAOYSA-N
XLogP3.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-3-methylimidazol-2-one
CID 91481297
1-Dodecyl-3-methylimidazol-2-one
CID 13911655
1-Heptyl-3-methylimidazol-2-one
CID 13911657
1-Decyl-3-methylimidazol-2-one
CID 13911659
1,3-Dipentylimidazol-2-one
CID 69862506
3-Dodecyl-4-hydroxy-1-methylimidazol-2-one
CID 91073512
1-Methyl-3-octylimidazol-2-one
CID 101502381
3-octyl-1H-imidazol-2-one
CID 103125864
1-ethenyl-3-undecyl-2H-imidazole
CID 117890584
1-Cyclodecyl-3-methylimidazol-2-one
CID 138507653
1-hexyl-3-methyl-2H-imidazol-1-ium-1-carboxylate
CID 141217249
3-methyl-1-octyl-2H-imidazol-1-ium-1-carboxylate
CID 141217252

Frequently Asked Questions

What is the IUPAC name of 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide?
The IUPAC name of 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide (CID 18974677) is 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide.
What is the SMILES notation for 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide?
The canonical SMILES for 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide is CCCCCCCCCCN1C=CN(C(=O)N(C)C)C1.
What is the InChIKey of 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide?
The InChIKey is GTVKGDGUAOHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-5-6-7-8-9-10-11-12-18-13-14-19(15-18)16(20)17(2)3/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide?
3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-N,N-dimethyl-2H-imidazole-1-carboxamide is sourced from PubChem (CID 18974677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).