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

C15H27N3O2 — CID 14888746

IUPACN-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCC)c1
InChIInChI=1S/C15H27N3O2/c1-4-6-7-8-9-14(12(3)19)18-10-13(17-11-18)15(20)16-5-2/h10-12,14,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyRGBQGAVILOXJTG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.53
Rot. Bonds9

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

N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (PubChem CID 14888746) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
PubChem CID14888746
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCC)c1
InChIInChI=1S/C15H27N3O2/c1-4-6-7-8-9-14(12(3)19)18-10-13(17-11-18)15(20)16-5-2/h10-12,14,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyRGBQGAVILOXJTG-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888753
1-(2-hydroxynonan-3-yl)imidazole-4-carbothioamide
CID 14888768
(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
CID 10036067
N-benzhydryl-1-(1-cyanoheptyl)imidazole-4-carboxamide
CID 23373489
ethyl 1-[(2S,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328422
5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride
CID 70515812
ethyl 1-[(2R,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328424
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
1-methyl-4-nitro-N-octadecylpyrazole-3-carboxamide
CID 19263859
1-ethyl-3-octan-2-ylurea
CID 56827686
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (CID 14888746) is N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is CCCCCCC(C(C)O)n1cnc(C(=O)NCC)c1.
What is the InChIKey of N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The InChIKey is RGBQGAVILOXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-6-7-8-9-14(12(3)19)18-10-13(17-11-18)15(20)16-5-2/h10-12,14,19H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 14888746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).