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

C8H13N3O2 — CID 103125369

IUPACN,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCN(C)C(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-10(2)7(12)3-5-11-6-4-9-8(11)13/h4,6H,3,5H2,1-2H3,(H,9,13)
InChIKeySCFLQLJHQRUDOG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.35
Rot. Bonds3

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

N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide (PubChem CID 103125369) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
PubChem CID103125369
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCN(C)C(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-10(2)7(12)3-5-11-6-4-9-8(11)13/h4,6H,3,5H2,1-2H3,(H,9,13)
InChIKeySCFLQLJHQRUDOG-UHFFFAOYSA-N
XLogP-0.35
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide (CID 103125369) is N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide is CN(C)C(=O)CCn1cc[nH]c1=O.
What is the InChIKey of N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The InChIKey is SCFLQLJHQRUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(2)7(12)3-5-11-6-4-9-8(11)13/h4,6H,3,5H2,1-2H3,(H,9,13).
What are the key properties of N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 103125369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).