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

C8H13N3O2 — CID 116624464

IUPACN,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1ccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-9(2)7(12)6-11-5-4-10(3)8(11)13/h4-5H,6H2,1-3H3
InChIKeyKPHXGCPOJNLUAK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.73
Rot. Bonds2

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

N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide (PubChem CID 116624464) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
PubChem CID116624464
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1ccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-9(2)7(12)6-11-5-4-10(3)8(11)13/h4-5H,6H2,1-3H3
InChIKeyKPHXGCPOJNLUAK-UHFFFAOYSA-N
XLogP-0.73
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide (CID 116624464) is N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide is CN(C)C(=O)Cn1ccn(C)c1=O.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide?
The InChIKey is KPHXGCPOJNLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9(2)7(12)6-11-5-4-10(3)8(11)13/h4-5H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide?
N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide is sourced from PubChem (CID 116624464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).