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

C19H20N2O4 — CID 51152920

IUPAC3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1cc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)ccc1OC
InChIInChI=1S/C19H20N2O4/c1-3-25-17-11-13(7-9-16(17)24-2)8-10-18(22)21-15-6-4-5-14(12-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b10-8+
InChIKeyRMJJGCCXDHWFJQ-CSKARUKUSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds7

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

3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 51152920) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID51152920
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1cc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)ccc1OC
InChIInChI=1S/C19H20N2O4/c1-3-25-17-11-13(7-9-16(17)24-2)8-10-18(22)21-15-6-4-5-14(12-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b10-8+
InChIKeyRMJJGCCXDHWFJQ-CSKARUKUSA-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

ethyl 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 9228215
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9071708
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
CID 2071597
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 55620260
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 8887707
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide (CID 51152920) is 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide is CCOc1cc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)ccc1OC.
What is the InChIKey of 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is RMJJGCCXDHWFJQ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-17-11-13(7-9-16(17)24-2)8-10-18(22)21-15-6-4-5-14(12-15)19(20)23/h4-12H,3H2,1-2H3,(H2,20,23)(H,21,22)/b10-8+.
What are the key properties of 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide?
3-[[(E)-3-(3-ethoxy-4-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 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 51152920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).