N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide

C20H23NO4 — CID 102487068

IUPACN-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C20H23NO4/c1-14(21(15(2)22)13-16-9-7-6-8-10-16)17-11-18(23-3)20(25-5)19(12-17)24-4/h6-12H,1,13H2,2-5H3
InChIKeyLDQAAGJKXUKWPC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide

N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide (PubChem CID 102487068) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
PubChem CID102487068
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C20H23NO4/c1-14(21(15(2)22)13-16-9-7-6-8-10-16)17-11-18(23-3)20(25-5)19(12-17)24-4/h6-12H,1,13H2,2-5H3
InChIKeyLDQAAGJKXUKWPC-UHFFFAOYSA-N
XLogP3.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
N-benzyl-N-[(1Z)-1,2-bis(3,4-dimethoxyphenyl)penta-1,4-dienyl]acetamide
CID 11134690
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide?
The IUPAC name of N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide (CID 102487068) is N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide.
What is the SMILES notation for N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide?
The canonical SMILES for N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide is C=C(c1cc(OC)c(OC)c(OC)c1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide?
The InChIKey is LDQAAGJKXUKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(21(15(2)22)13-16-9-7-6-8-10-16)17-11-18(23-3)20(25-5)19(12-17)24-4/h6-12H,1,13H2,2-5H3.
What are the key properties of N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide?
N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 102487068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).