(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide

C12H19N3O3 — CID 154957843

IUPAC(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide
SMILESC=CC(=O)N1CCN([C@H](C(=O)NC)C(C)C)C1=O
InChIInChI=1S/C12H19N3O3/c1-5-9(16)14-6-7-15(12(14)18)10(8(2)3)11(17)13-4/h5,8,10H,1,6-7H2,2-4H3,(H,13,17)/t10-/m0/s1
InChIKeyJCSQKMBMZXTYCQ-JTQLQIEISA-N
MW253.30 g/mol
LogP0.21
Rot. Bonds4

About (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide

(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide (PubChem CID 154957843) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide
PubChem CID154957843
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide
SMILESC=CC(=O)N1CCN([C@H](C(=O)NC)C(C)C)C1=O
InChIInChI=1S/C12H19N3O3/c1-5-9(16)14-6-7-15(12(14)18)10(8(2)3)11(17)13-4/h5,8,10H,1,6-7H2,2-4H3,(H,13,17)/t10-/m0/s1
InChIKeyJCSQKMBMZXTYCQ-JTQLQIEISA-N
XLogP0.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-8-(3-methylbutanoyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823944
3-Allyl-5-methylhydantoin
CID 19078753
3-Butyl-5-(1-methylethyl)-2,4-imidazolidinedione
CID 19078762
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 51925872
5-(2-Methylpropyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 4905117
3-Isobutyl-5-isopropylhydantoin
CID 138961430
N-((5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)methyl)acrylamide
CID 3023101
N-((4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)methyl)acrylamide
CID 3023205
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 16317247
2-hydroxy-1-isopentyl-4-methyl-1H-imidazol-5(4H)-one [M+H]+
CID 4869725
(4S)-1-methyl-4-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
CID 11446902
3-Ethyl-5-isopropylimidazolidine-2,4-dione
CID 15121817

Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide?
The IUPAC name of (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide (CID 154957843) is (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide is C=CC(=O)N1CCN([C@H](C(=O)NC)C(C)C)C1=O.
What is the InChIKey of (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide?
The InChIKey is JCSQKMBMZXTYCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-9(16)14-6-7-15(12(14)18)10(8(2)3)11(17)13-4/h5,8,10H,1,6-7H2,2-4H3,(H,13,17)/t10-/m0/s1.
What are the key properties of (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide?
(2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide has a molecular weight of 253.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dimethyl-2-(2-oxo-3-prop-2-enoylimidazolidin-1-yl)butanamide is sourced from PubChem (CID 154957843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).