2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide

C9H12N2O3 — CID 14817903

IUPAC2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)NC(=O)C(=C)C
InChIInChI=1S/C9H12N2O3/c1-5(2)7(12)10-9(14)11-8(13)6(3)4/h1,3H2,2,4H3,(H2,10,11,12,13,14)
InChIKeyXRMOUJCCARIOGH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide

2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide (PubChem CID 14817903) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
PubChem CID14817903
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)NC(=O)C(=C)C
InChIInChI=1S/C9H12N2O3/c1-5(2)7(12)10-9(14)11-8(13)6(3)4/h1,3H2,2,4H3,(H2,10,11,12,13,14)
InChIKeyXRMOUJCCARIOGH-UHFFFAOYSA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
N-ethanethioyl-2-methylprop-2-enamide
CID 89169552
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
N,2-dimethylprop-2-enamide;ethane
CID 142291054
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174962004

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide (CID 14817903) is 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide is C=C(C)C(=O)NC(=O)NC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide?
The InChIKey is XRMOUJCCARIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(2)7(12)10-9(14)11-8(13)6(3)4/h1,3H2,2,4H3,(H2,10,11,12,13,14).
What are the key properties of 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide?
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide has a molecular weight of 196.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 14817903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).