N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide

C9H15N3O3 — CID 106182939

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCOCC(CO)NC(=O)c1cncn1C
InChIInChI=1S/C9H15N3O3/c1-12-6-10-3-8(12)9(14)11-7(4-13)5-15-2/h3,6-7,13H,4-5H2,1-2H3,(H,11,14)
InChIKeyNSLAJQRNRISOSE-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.84
Rot. Bonds5

About N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide

N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide (PubChem CID 106182939) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
PubChem CID106182939
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCOCC(CO)NC(=O)c1cncn1C
InChIInChI=1S/C9H15N3O3/c1-12-6-10-3-8(12)9(14)11-7(4-13)5-15-2/h3,6-7,13H,4-5H2,1-2H3,(H,11,14)
InChIKeyNSLAJQRNRISOSE-UHFFFAOYSA-N
XLogP-0.84
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286
N-(2-methoxyethoxy)-3-methylimidazole-4-carboxamide
CID 103511267
N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511037
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106182879
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 103799438
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylimidazole-4-carboxamide
CID 106356199
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide (CID 106182939) is N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide is COCC(CO)NC(=O)c1cncn1C.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is NSLAJQRNRISOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12-6-10-3-8(12)9(14)11-7(4-13)5-15-2/h3,6-7,13H,4-5H2,1-2H3,(H,11,14).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 106182939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).