2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C25H27NO6 — CID 24549627

IUPAC2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2OCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO6/c1-28-22-15-18(16-23(29-2)24(22)30-3)17-26-25(27)20-11-7-8-12-21(20)32-14-13-31-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyZZQPBBORTANNLH-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.10
Rot. Bonds11

About 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 24549627) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID24549627
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2OCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO6/c1-28-22-15-18(16-23(29-2)24(22)30-3)17-26-25(27)20-11-7-8-12-21(20)32-14-13-31-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyZZQPBBORTANNLH-UHFFFAOYSA-N
XLogP4.10
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
CID 18282595
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 24549627) is 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccccc2OCCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ZZQPBBORTANNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-28-22-15-18(16-23(29-2)24(22)30-3)17-26-25(27)20-11-7-8-12-21(20)32-14-13-31-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27).
What are the key properties of 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 437.49 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 24549627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).