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

C10H17N3O2 — CID 116624943

IUPAC2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(Cn1ccn(C(C)C)c1=O)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-5-4-12(10(13)15)6-8(3)9(11)14/h4-5,7-8H,6H2,1-3H3,(H2,11,14)
InChIKeyRTSSASSBNGGXNP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.35
Rot. Bonds4

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

2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 116624943) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
PubChem CID116624943
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(Cn1ccn(C(C)C)c1=O)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-5-4-12(10(13)15)6-8(3)9(11)14/h4-5,7-8H,6H2,1-3H3,(H2,11,14)
InChIKeyRTSSASSBNGGXNP-UHFFFAOYSA-N
XLogP0.35
TPSA70.02 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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-oxopentyl)-3-propan-2-ylimidazol-2-one
CID 80581530
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581316
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
CID 107522959
1-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 104753347
4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
CID 80582933
1-[2-(4-iodophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581510
1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
CID 80580219
N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624987
N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625062
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide (CID 116624943) is 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide is CC(Cn1ccn(C(C)C)c1=O)C(N)=O.
What is the InChIKey of 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is RTSSASSBNGGXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-5-4-12(10(13)15)6-8(3)9(11)14/h4-5,7-8H,6H2,1-3H3,(H2,11,14).
What are the key properties of 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide?
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 116624943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).