prop-2-enyl 2-acetamido-3-phenylpropanoate

C14H17NO3 — CID 67861806

IUPACprop-2-enyl 2-acetamido-3-phenylpropanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3,(H,15,16)
InChIKeyJYPHJVZGLKTRLO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.46
Rot. Bonds6

About prop-2-enyl 2-acetamido-3-phenylpropanoate

prop-2-enyl 2-acetamido-3-phenylpropanoate (PubChem CID 67861806) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is prop-2-enyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-acetamido-3-phenylpropanoate
PubChem CID67861806
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameprop-2-enyl 2-acetamido-3-phenylpropanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3,(H,15,16)
InChIKeyJYPHJVZGLKTRLO-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-acetamido-3-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

[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
CID 87946650
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
2-acetamido-3-phenylpropanamide;ethane
CID 144643683

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of prop-2-enyl 2-acetamido-3-phenylpropanoate (CID 67861806) is prop-2-enyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for prop-2-enyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for prop-2-enyl 2-acetamido-3-phenylpropanoate is C=CCOC(=O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of prop-2-enyl 2-acetamido-3-phenylpropanoate?
The InChIKey is JYPHJVZGLKTRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h3-8,13H,1,9-10H2,2H3,(H,15,16).
What are the key properties of prop-2-enyl 2-acetamido-3-phenylpropanoate?
prop-2-enyl 2-acetamido-3-phenylpropanoate has a molecular weight of 247.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 67861806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).