4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide

C20H22N2O3 — CID 17234449

IUPAC4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-3-21-20(24)16-8-10-17(11-9-16)22-19(23)14-7-15-5-12-18(13-6-15)25-4-2/h5-14H,3-4H2,1-2H3,(H,21,24)(H,22,23)/b14-7+
InChIKeyFDMAHDOQPYDMIP-VGOFMYFVSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds7

About 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide

4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide (PubChem CID 17234449) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
PubChem CID17234449
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-3-21-20(24)16-8-10-17(11-9-16)22-19(23)14-7-15-5-12-18(13-6-15)25-4-2/h5-14H,3-4H2,1-2H3,(H,21,24)(H,22,23)/b14-7+
InChIKeyFDMAHDOQPYDMIP-VGOFMYFVSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-ethylbenzamide
CID 17234577
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17227294
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
hexyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19173123
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 17227656
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide (CID 17234449) is 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide?
The InChIKey is FDMAHDOQPYDMIP-VGOFMYFVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-21-20(24)16-8-10-17(11-9-16)22-19(23)14-7-15-5-12-18(13-6-15)25-4-2/h5-14H,3-4H2,1-2H3,(H,21,24)(H,22,23)/b14-7+.
What are the key properties of 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide?
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17234449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).