N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide

C10H17N3O2 — CID 103125477

IUPACN-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCCC(C)NC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-3-8(2)12-9(14)4-6-13-7-5-11-10(13)15/h5,7-8H,3-4,6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyTYGDJOQYUKRSEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.48
Rot. Bonds5

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

N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide (PubChem CID 103125477) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide
PubChem CID103125477
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCCC(C)NC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-3-8(2)12-9(14)4-6-13-7-5-11-10(13)15/h5,7-8H,3-4,6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyTYGDJOQYUKRSEK-UHFFFAOYSA-N
XLogP0.48
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide (CID 103125477) is N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide is CCC(C)NC(=O)CCn1cc[nH]c1=O.
What is the InChIKey of N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The InChIKey is TYGDJOQYUKRSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8(2)12-9(14)4-6-13-7-5-11-10(13)15/h5,7-8H,3-4,6H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 103125477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).