2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide

C9H15N3O2 — CID 103125390

IUPAC2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyUEQDYDHMBHDNNO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.26
Rot. Bonds4

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

2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (PubChem CID 103125390) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
PubChem CID103125390
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyUEQDYDHMBHDNNO-UHFFFAOYSA-N
XLogP0.26
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113545137
2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624874
2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116625166
5-methyl-5-(1H-pyrazin-4-yl)imidazolidine-2,4-dione
CID 66905009
N-butyl-N-methyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 67523463
N-butyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 69670276
N-butan-2-yl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 123377905
N-[2-aminopropyl(ethenyl)carbamoyl]acetamide
CID 123527300
(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide
CID 134289439
1-[2-[Ethenyl(methyl)amino]propyl]imidazolidine-2,4-dione
CID 134556298
(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
CID 146638412
3-Ethenyl-5-methylimidazolidine-2,4-dione
CID 152144641

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (CID 103125390) is 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The canonical SMILES for 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cc[nH]c1=O.
What is the InChIKey of 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The InChIKey is UEQDYDHMBHDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide has a molecular weight of 197.24 g/mol, XLogP of 0.26, 4 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-propylpropanamide is sourced from PubChem (CID 103125390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).