N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide

C10H17N3O2 — CID 116624987

IUPACN-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
SMILESCNC(=O)CCn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)13-7-6-12(10(13)15)5-4-9(14)11-3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyZRYKFMVNSAEGDT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.37
Rot. Bonds4

About N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide

N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 116624987) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
PubChem CID116624987
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
SMILESCNC(=O)CCn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)13-7-6-12(10(13)15)5-4-9(14)11-3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyZRYKFMVNSAEGDT-UHFFFAOYSA-N
XLogP0.37
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide (CID 116624987) is N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide is CNC(=O)CCn1ccn(C(C)C)c1=O.
What is the InChIKey of N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is ZRYKFMVNSAEGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13-7-6-12(10(13)15)5-4-9(14)11-3/h6-8H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 116624987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).