N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide

C15H27N3O3 — CID 14888748

IUPACN-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCCO)c1
InChIInChI=1S/C15H27N3O3/c1-3-4-5-6-7-14(12(2)20)18-10-13(17-11-18)15(21)16-8-9-19/h10-12,14,19-20H,3-9H2,1-2H3,(H,16,21)
InChIKeyCKJLRGZAWKKLKW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.50
Rot. Bonds10

About N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide

N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (PubChem CID 14888748) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
PubChem CID14888748
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCCO)c1
InChIInChI=1S/C15H27N3O3/c1-3-4-5-6-7-14(12(2)20)18-10-13(17-11-18)15(21)16-8-9-19/h10-12,14,19-20H,3-9H2,1-2H3,(H,16,21)
InChIKeyCKJLRGZAWKKLKW-UHFFFAOYSA-N
XLogP1.50
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (CID 14888748) is N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is CCCCCCC(C(C)O)n1cnc(C(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The InChIKey is CKJLRGZAWKKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-4-5-6-7-14(12(2)20)18-10-13(17-11-18)15(21)16-8-9-19/h10-12,14,19-20H,3-9H2,1-2H3,(H,16,21).
What are the key properties of N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.50, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 14888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).