N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide

C18H21NO5 — CID 164627851

IUPACN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C18H21NO5/c1-22-13-5-7-16(23-2)14(11-13)18(21)19-9-8-12-4-6-15(20)17(10-12)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeySSMOXOCXFUYHOK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide (PubChem CID 164627851) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
PubChem CID164627851
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C18H21NO5/c1-22-13-5-7-16(23-2)14(11-13)18(21)19-9-8-12-4-6-15(20)17(10-12)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21)
InChIKeySSMOXOCXFUYHOK-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

Analyze N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
CID 69035347
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide (CID 164627851) is N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCCc2ccc(O)c(OC)c2)c1.
What is the InChIKey of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
The InChIKey is SSMOXOCXFUYHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-13-5-7-16(23-2)14(11-13)18(21)19-9-8-12-4-6-15(20)17(10-12)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide?
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide 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-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 164627851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).