2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide

C8H13N3O2 — CID 103125257

IUPAC2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)10-7(12)5-11-4-3-9-8(11)13/h3-4,6H,5H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyPMEGVMJQJYQBMM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.30
Rot. Bonds3

About 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide

2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 103125257) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
PubChem CID103125257
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)10-7(12)5-11-4-3-9-8(11)13/h3-4,6H,5H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyPMEGVMJQJYQBMM-UHFFFAOYSA-N
XLogP-0.30
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-(2-oxo-1H-imidazol-3-yl)acetamide
CID 103125914
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
CID 66408770
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-N-propan-2-ylacetamide
CID 81335845
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
5-bromo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79113888
N,2,2-trimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 106276831
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile
CID 103124026
3-(2-propan-2-yloxyethyl)-1H-imidazol-2-one
CID 103125961
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide (CID 103125257) is 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc[nH]c1=O.
What is the InChIKey of 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is PMEGVMJQJYQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)10-7(12)5-11-4-3-9-8(11)13/h3-4,6H,5H2,1-2H3,(H,9,13)(H,10,12).
What are the key properties of 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide?
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 183.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103125257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).