3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

C20H25NO5 — CID 110287953

IUPAC3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-21(11-10-14-6-8-16(23-2)9-7-14)20(22)15-12-17(24-3)19(26-5)18(13-15)25-4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCFOXLULKTNLSAN-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.04
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 110287953) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID110287953
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-21(11-10-14-6-8-16(23-2)9-7-14)20(22)15-12-17(24-3)19(26-5)18(13-15)25-4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCFOXLULKTNLSAN-UHFFFAOYSA-N
XLogP3.04
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095739
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide
CID 20568689

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide (CID 110287953) is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(CCN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is CFOXLULKTNLSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-21(11-10-14-6-8-16(23-2)9-7-14)20(22)15-12-17(24-3)19(26-5)18(13-15)25-4/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 359.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 110287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).