N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

C18H21NO5 — CID 110605237

IUPACN-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-22-15-10-13(11-16(23-2)17(15)24-3)18(21)19-9-8-12-6-4-5-7-14(12)20/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyILOJKYALCIIOGN-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 110605237) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID110605237
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-22-15-10-13(11-16(23-2)17(15)24-3)18(21)19-9-8-12-6-4-5-7-14(12)20/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyILOJKYALCIIOGN-UHFFFAOYSA-N
XLogP2.39
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2225987
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide (CID 110605237) is N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCc2ccccc2O)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ILOJKYALCIIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-15-10-13(11-16(23-2)17(15)24-3)18(21)19-9-8-12-6-4-5-7-14(12)20/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110605237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).