N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide

C26H26N2O5 — CID 4642812

IUPACN-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C26H26N2O5/c1-4-33-20-13-10-18(11-14-20)12-15-25(29)27-21-16-24(32-3)22(17-23(21)31-2)28-26(30)19-8-6-5-7-9-19/h5-17H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyFAEDBXHDRRBYSP-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.01
Rot. Bonds9

About N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide

N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 4642812) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
PubChem CID4642812
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCCOc1ccc(C=CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C26H26N2O5/c1-4-33-20-13-10-18(11-14-20)12-15-25(29)27-21-16-24(32-3)22(17-23(21)31-2)28-26(30)19-8-6-5-7-9-19/h5-17H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyFAEDBXHDRRBYSP-UHFFFAOYSA-N
XLogP5.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-diethoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642597
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19181852
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642816
N-[4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19236857
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide (CID 4642812) is N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide is CCOc1ccc(C=CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1.
What is the InChIKey of N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is FAEDBXHDRRBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-4-33-20-13-10-18(11-14-20)12-15-25(29)27-21-16-24(32-3)22(17-23(21)31-2)28-26(30)19-8-6-5-7-9-19/h5-17H,4H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 446.50 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 4642812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).