[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate

C20H19NO3 — CID 98572547

IUPAC[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15+
InChIKeyIUMVOVVCMMLTJP-CBKPKFSOSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate

[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 98572547) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
PubChem CID98572547
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15+
InChIKeyIUMVOVVCMMLTJP-CBKPKFSOSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate with MolForge

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Related Compounds

propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610224
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555018
[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 51109403
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate
CID 7229331

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate (CID 98572547) is [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C/c1ccccc1)C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is IUMVOVVCMMLTJP-CBKPKFSOSA-N. The full InChI is InChI=1S/C20H19NO3/c1-16(22)21-19(15-18-11-6-3-7-12-18)20(23)24-14-8-13-17-9-4-2-5-10-17/h2-13,15H,14H2,1H3,(H,21,22)/b13-8+,19-15+.
What are the key properties of [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate?
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 321.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 98572547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).