propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

C21H23NO4 — CID 6073177

IUPACpropyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCCOC(=O)/C(=C\c1ccccc1OCC)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-3-14-26-21(24)18(22-20(23)16-10-6-5-7-11-16)15-17-12-8-9-13-19(17)25-4-2/h5-13,15H,3-4,14H2,1-2H3,(H,22,23)/b18-15+
InChIKeyOLEKAIVGXPRCDF-OBGWFSINSA-N
MW353.42 g/mol
LogP3.81
Rot. Bonds8

About propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 6073177) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID6073177
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namepropyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCCOC(=O)/C(=C\c1ccccc1OCC)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-3-14-26-21(24)18(22-20(23)16-10-6-5-7-11-16)15-17-12-8-9-13-19(17)25-4-2/h5-13,15H,3-4,14H2,1-2H3,(H,22,23)/b18-15+
InChIKeyOLEKAIVGXPRCDF-OBGWFSINSA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.81
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

ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
propyl 2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 139578130
N-[(E)-1-(2-ethoxyphenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 19058559
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
ethyl 2-benzamidohex-2-enoate
CID 54135301
N-[(Z)-3-[4-(2-anilino-2-oxoethyl)sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22187104
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
N-[(Z)-3-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783446
(E)-2-benzamido-3-(3-ethoxy-5-iodo-4-propoxyphenyl)prop-2-enoic acid
CID 6209924
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
CID 3610354

Frequently Asked Questions

What is the IUPAC name of propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (CID 6073177) is propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is CCCOC(=O)/C(=C\c1ccccc1OCC)NC(=O)c1ccccc1.
What is the InChIKey of propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is OLEKAIVGXPRCDF-OBGWFSINSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-14-26-21(24)18(22-20(23)16-10-6-5-7-11-16)15-17-12-8-9-13-19(17)25-4-2/h5-13,15H,3-4,14H2,1-2H3,(H,22,23)/b18-15+.
What are the key properties of propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 353.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6073177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).