prop-2-enyl 2-benzamidopropanoate

C13H15NO3 — CID 2910482

IUPACprop-2-enyl 2-benzamidopropanoate
SMILESC=CCOC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15)
InChIKeyNMSMGTPFNVKGPF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds5

About prop-2-enyl 2-benzamidopropanoate

prop-2-enyl 2-benzamidopropanoate (PubChem CID 2910482) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is prop-2-enyl 2-benzamidopropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-benzamidopropanoate
PubChem CID2910482
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameprop-2-enyl 2-benzamidopropanoate
SMILESC=CCOC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15)
InChIKeyNMSMGTPFNVKGPF-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-benzamidopropanoate
CID 6364617
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
propyl 2-benzamidopropanoate
CID 71628004
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
prop-2-enyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 135012368
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880448
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-benzamidopropanoate?
The IUPAC name of prop-2-enyl 2-benzamidopropanoate (CID 2910482) is prop-2-enyl 2-benzamidopropanoate.
What is the SMILES notation for prop-2-enyl 2-benzamidopropanoate?
The canonical SMILES for prop-2-enyl 2-benzamidopropanoate is C=CCOC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-benzamidopropanoate?
The InChIKey is NMSMGTPFNVKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15).
What are the key properties of prop-2-enyl 2-benzamidopropanoate?
prop-2-enyl 2-benzamidopropanoate has a molecular weight of 233.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-benzamidopropanoate is sourced from PubChem (CID 2910482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).