N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

C22H26N2O6 — CID 6142313

IUPACN-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-27-14-13-23-22(26)16-7-5-6-8-17(16)24-19(25)12-10-15-9-11-18(28-2)21(30-4)20(15)29-3/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,25)/b12-10+
InChIKeySQIYXUDLQZCOIY-ZRDIBKRKSA-N
MW414.46 g/mol
LogP2.74
Rot. Bonds10

About N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 6142313) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID6142313
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-27-14-13-23-22(26)16-7-5-6-8-17(16)24-19(25)12-10-15-9-11-18(28-2)21(30-4)20(15)29-3/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,25)/b12-10+
InChIKeySQIYXUDLQZCOIY-ZRDIBKRKSA-N
XLogP2.74
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 40715780
(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 67648342
N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
CID 135289953
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 34762755
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 56516538
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
(E)-N-(2,4-difluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126413661
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
CID 6233444

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 6142313) is N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is SQIYXUDLQZCOIY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-14-13-23-22(26)16-7-5-6-8-17(16)24-19(25)12-10-15-9-11-18(28-2)21(30-4)20(15)29-3/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,25)/b12-10+.
What are the key properties of N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 414.46 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 6142313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).