2,4,5-trimethoxy-N-(2-phenylethyl)benzamide

C18H21NO4 — CID 836555

IUPAC2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C18H21NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyFEAVBYNXOVVALL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.68
Rot. Bonds7

About 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide

2,4,5-trimethoxy-N-(2-phenylethyl)benzamide (PubChem CID 836555) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
PubChem CID836555
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C18H21NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyFEAVBYNXOVVALL-UHFFFAOYSA-N
XLogP2.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
3-methoxy-2-[(2-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 118913463
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide (CID 836555) is 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide is COc1cc(OC)c(C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide?
The InChIKey is FEAVBYNXOVVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-12-17(23-3)16(22-2)11-14(15)18(20)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide?
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 836555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).