4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide

C19H20N2O4 — CID 719549

IUPAC4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-3-25-16-10-4-13(12-17(16)24-2)5-11-18(22)21-15-8-6-14(7-9-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b11-5+
InChIKeyOFXQRHQLKPQXPV-VZUCSPMQSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds7

About 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide

4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 719549) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID719549
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-3-25-16-10-4-13(12-17(16)24-2)5-11-18(22)21-15-8-6-14(7-9-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b11-5+
InChIKeyOFXQRHQLKPQXPV-VZUCSPMQSA-N
XLogP2.84
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 5282230
Ecabapide
CID 65885
VU0357121
CID 2296132
Asengeprast
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Benzamide, N-(4-ethoxyphenyl)-
CID 203878
3,4,5-Trimethoxybenzanilide
CID 305103
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide (CID 719549) is 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is OFXQRHQLKPQXPV-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-16-10-4-13(12-17(16)24-2)5-11-18(22)21-15-8-6-14(7-9-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b11-5+.
What are the key properties of 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 719549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).