N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide

C9H15N3O2 — CID 116624532

IUPACN,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCN(C)C(=O)CCn1ccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-10(2)8(13)4-5-12-7-6-11(3)9(12)14/h6-7H,4-5H2,1-3H3
InChIKeyWJHYRTCVVKBSOB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.33
Rot. Bonds3

About N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide

N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (PubChem CID 116624532) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
PubChem CID116624532
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCN(C)C(=O)CCn1ccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-10(2)8(13)4-5-12-7-6-11(3)9(12)14/h6-7H,4-5H2,1-3H3
InChIKeyWJHYRTCVVKBSOB-UHFFFAOYSA-N
XLogP-0.33
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (CID 116624532) is N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is CN(C)C(=O)CCn1ccn(C)c1=O.
What is the InChIKey of N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The InChIKey is WJHYRTCVVKBSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10(2)8(13)4-5-12-7-6-11(3)9(12)14/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is sourced from PubChem (CID 116624532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).