3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide

C23H31NO6 — CID 90623404

IUPAC3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCC(OC)c2cccc(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO6/c1-6-28-19-13-17(14-20(29-7-2)22(19)30-8-3)23(25)24-15-21(27-5)16-10-9-11-18(12-16)26-4/h9-14,21H,6-8,15H2,1-5H3,(H,24,25)
InChIKeyZGLIJWFMTMVCEE-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.01
Rot. Bonds12

About 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide

3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 90623404) has the molecular formula C23H31NO6 and a molecular weight of 417.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID90623404
Molecular FormulaC23H31NO6
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCC(OC)c2cccc(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO6/c1-6-28-19-13-17(14-20(29-7-2)22(19)30-8-3)23(25)24-15-21(27-5)16-10-9-11-18(12-16)26-4/h9-14,21H,6-8,15H2,1-5H3,(H,24,25)
InChIKeyZGLIJWFMTMVCEE-UHFFFAOYSA-N
XLogP4.01
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
CID 90623429
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 73168514
[(1S)-1-(3-methoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796033
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
3,4,5-triethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1048188
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 73168524
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide (CID 90623404) is 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide is CCOc1cc(C(=O)NCC(OC)c2cccc(OC)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZGLIJWFMTMVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO6/c1-6-28-19-13-17(14-20(29-7-2)22(19)30-8-3)23(25)24-15-21(27-5)16-10-9-11-18(12-16)26-4/h9-14,21H,6-8,15H2,1-5H3,(H,24,25).
What are the key properties of 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 417.50 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 90623404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).