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

C26H26N2O4 — CID 17227107

IUPACN-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C26H26N2O4/c1-3-31-21-14-9-19(10-15-21)11-18-25(29)28-24-8-6-5-7-23(24)26(30)27-20-12-16-22(17-13-20)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,30)(H,28,29)/b18-11+
InChIKeySAEISWSUSXKYJB-WOJGMQOQSA-N
MW430.50 g/mol
LogP5.39
Rot. Bonds9

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

N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 17227107) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID17227107
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C26H26N2O4/c1-3-31-21-14-9-19(10-15-21)11-18-25(29)28-24-8-6-5-7-23(24)26(30)27-20-12-16-22(17-13-20)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,30)(H,28,29)/b18-11+
InChIKeySAEISWSUSXKYJB-WOJGMQOQSA-N
XLogP5.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.39
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

N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 6234822
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4094463
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-ethoxyphenyl)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6234826

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 17227107) is N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide is CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is SAEISWSUSXKYJB-WOJGMQOQSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-3-31-21-14-9-19(10-15-21)11-18-25(29)28-24-8-6-5-7-23(24)26(30)27-20-12-16-22(17-13-20)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,30)(H,28,29)/b18-11+.
What are the key properties of N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide?
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 430.50 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 17227107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).