prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate

C19H19NO3 — CID 138977671

IUPACprop-2-enyl (2R)-3-benzamido-2-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-13-23-19(22)17(15-9-5-3-6-10-15)14-20-18(21)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,20,21)/t17-/m0/s1
InChIKeyLOBXONKBUWTWJK-KRWDZBQOSA-N
MW309.37 g/mol
LogP2.93
Rot. Bonds7

About prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate

prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate (PubChem CID 138977671) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-3-benzamido-2-phenylpropanoate
PubChem CID138977671
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameprop-2-enyl (2R)-3-benzamido-2-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-13-23-19(22)17(15-9-5-3-6-10-15)14-20-18(21)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,20,21)/t17-/m0/s1
InChIKeyLOBXONKBUWTWJK-KRWDZBQOSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
2-benzamidoethyl Benzoate
CID 5131781
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
Phenacyl 3-benzamidopropanoate
CID 2556661
2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
[2-(2,5-Dimethylphenyl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 5039727
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
3-Benzoylamino-3-phenyl-propionic acid
CID 2834576
2'-[(Isobutylamino)carbonyl]-2-biphenylcarboxylic acid
CID 683373
Methyl 4-[[[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]amino]methyl]benzoate
CID 4605583
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate?
The IUPAC name of prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate (CID 138977671) is prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate.
What is the SMILES notation for prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate?
The canonical SMILES for prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate is C=CCOC(=O)[C@@H](CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate?
The InChIKey is LOBXONKBUWTWJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-13-23-19(22)17(15-9-5-3-6-10-15)14-20-18(21)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,20,21)/t17-/m0/s1.
What are the key properties of prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate?
prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate has a molecular weight of 309.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate is sourced from PubChem (CID 138977671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).