2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide

C9H15N3O2 — CID 103429654

IUPAC2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-9(2,14)8(13)11-4-6-12-5-3-10-7-12/h3,5,7,14H,4,6H2,1-2H3,(H,11,13)
InChIKeyXSSKSKXAYIGVLM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.23
Rot. Bonds4

About 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide

2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (PubChem CID 103429654) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
PubChem CID103429654
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-9(2,14)8(13)11-4-6-12-5-3-10-7-12/h3,5,7,14H,4,6H2,1-2H3,(H,11,13)
InChIKeyXSSKSKXAYIGVLM-UHFFFAOYSA-N
XLogP-0.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 62836681
2-hydroxy-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106509780
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-imidazol-1-ylethylurea
CID 61061185
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
CID 110443177

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (CID 103429654) is 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is CC(C)(O)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The InChIKey is XSSKSKXAYIGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,14)8(13)11-4-6-12-5-3-10-7-12/h3,5,7,14H,4,6H2,1-2H3,(H,11,13).
What are the key properties of 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 103429654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).