N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide

C12H21N3O2 — CID 107261964

IUPACN-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cncn1C
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)7-14-12(17)10-6-13-8-15(10)3/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyGYVNLIOSSMTZML-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.95
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide

N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide (PubChem CID 107261964) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
PubChem CID107261964
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cncn1C
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)7-14-12(17)10-6-13-8-15(10)3/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyGYVNLIOSSMTZML-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 107155312
N-(2-bromopentyl)-3-methylimidazole-4-carboxamide
CID 103512206
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
CID 103512202
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-3-methylimidazole-4-carboxamide
CID 129206725
N-[2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 122568960
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
4-cyano-N-(3-ethyl-2-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 111911987
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide (CID 107261964) is N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide is CCC(CC)C(O)CNC(=O)c1cncn1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide?
The InChIKey is GYVNLIOSSMTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9(5-2)11(16)7-14-12(17)10-6-13-8-15(10)3/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 107261964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).