4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide

C19H20N2O4 — CID 719545

IUPAC4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
SMILESCCOc1ccc(C=CC(=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)
InChIKeyOFXQRHQLKPQXPV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds7

About 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide

4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide (PubChem CID 719545) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
PubChem CID719545
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
SMILESCCOc1ccc(C=CC(=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)
InChIKeyOFXQRHQLKPQXPV-UHFFFAOYSA-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

(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253574
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 55620260
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
propyl 4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3440541
2-[4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 45346201
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide?
The IUPAC name of 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide (CID 719545) is 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide is CCOc1ccc(C=CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide?
The InChIKey is OFXQRHQLKPQXPV-UHFFFAOYSA-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).
What are the key properties of 4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide?
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]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-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 719545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).