3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide

C22H30N2O7 — CID 5133336

IUPAC3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H30N2O7/c1-26-16-12-18(28-3)17(27-2)11-15(16)13-23-7-8-24-22(25)14-9-19(29-4)21(31-6)20(10-14)30-5/h9-12,23H,7-8,13H2,1-6H3,(H,24,25)
InChIKeyJXJBFSQLUYTHBQ-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.26
Rot. Bonds12

About 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide

3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide (PubChem CID 5133336) has the molecular formula C22H30N2O7 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
PubChem CID5133336
Molecular FormulaC22H30N2O7
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Name3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H30N2O7/c1-26-16-12-18(28-3)17(27-2)11-15(16)13-23-7-8-24-22(25)14-9-19(29-4)21(31-6)20(10-14)30-5/h9-12,23H,7-8,13H2,1-6H3,(H,24,25)
InChIKeyJXJBFSQLUYTHBQ-UHFFFAOYSA-N
XLogP2.26
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-[(3-bromophenyl)methylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 3385993
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 110182047
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,4,5-trimethoxy-N-[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]benzamide
CID 177491562

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide (CID 5133336) is 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide is COc1cc(OC)c(OC)cc1CNCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The InChIKey is JXJBFSQLUYTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O7/c1-26-16-12-18(28-3)17(27-2)11-15(16)13-23-7-8-24-22(25)14-9-19(29-4)21(31-6)20(10-14)30-5/h9-12,23H,7-8,13H2,1-6H3,(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide has a molecular weight of 434.49 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 5133336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).