(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate

C14H15NO4 — CID 134463310

IUPAC(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(2)14(18)19-10(3)12(16)15-13(17)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H,15,16,17)
InChIKeyXPSADKUOVZSVDL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.45
Rot. Bonds4

About (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate

(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate (PubChem CID 134463310) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
PubChem CID134463310
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(2)14(18)19-10(3)12(16)15-13(17)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H,15,16,17)
InChIKeyXPSADKUOVZSVDL-UHFFFAOYSA-N
XLogP1.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
CID 175127791
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
CID 21195052
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
1-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 174820774

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate (CID 134463310) is (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is XPSADKUOVZSVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(2)14(18)19-10(3)12(16)15-13(17)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H,15,16,17).
What are the key properties of (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate?
(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 261.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 134463310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).