N-dodecylimidazole-1-carboxamide

C16H29N3O — CID 18328494

IUPACN-dodecylimidazole-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(20)19-14-13-17-15-19/h13-15H,2-12H2,1H3,(H,18,20)
InChIKeyHVVLNQQFCOSKIJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.36
Rot. Bonds11

About N-dodecylimidazole-1-carboxamide

N-dodecylimidazole-1-carboxamide (PubChem CID 18328494) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-dodecylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-dodecylimidazole-1-carboxamide
PubChem CID18328494
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-dodecylimidazole-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(20)19-14-13-17-15-19/h13-15H,2-12H2,1H3,(H,18,20)
InChIKeyHVVLNQQFCOSKIJ-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dodecylimidazole-1-carboxamide?
The IUPAC name of N-dodecylimidazole-1-carboxamide (CID 18328494) is N-dodecylimidazole-1-carboxamide.
What is the SMILES notation for N-dodecylimidazole-1-carboxamide?
The canonical SMILES for N-dodecylimidazole-1-carboxamide is CCCCCCCCCCCCNC(=O)n1ccnc1.
What is the InChIKey of N-dodecylimidazole-1-carboxamide?
The InChIKey is HVVLNQQFCOSKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(20)19-14-13-17-15-19/h13-15H,2-12H2,1H3,(H,18,20).
What are the key properties of N-dodecylimidazole-1-carboxamide?
N-dodecylimidazole-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylimidazole-1-carboxamide is sourced from PubChem (CID 18328494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).