N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide

C18H21NO4 — CID 113101912

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2cccc(C)c2)c1OC
InChIInChI=1S/C18H21NO4/c1-13-6-4-7-14(12-13)18(20)19-10-11-23-16-9-5-8-15(21-2)17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyWJZHOAGTUCDSJW-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide

N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide (PubChem CID 113101912) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
PubChem CID113101912
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2cccc(C)c2)c1OC
InChIInChI=1S/C18H21NO4/c1-13-6-4-7-14(12-13)18(20)19-10-11-23-16-9-5-8-15(21-2)17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyWJZHOAGTUCDSJW-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide 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

N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide (CID 113101912) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide is COc1cccc(OCCNC(=O)c2cccc(C)c2)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide?
The InChIKey is WJZHOAGTUCDSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-6-4-7-14(12-13)18(20)19-10-11-23-16-9-5-8-15(21-2)17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide is sourced from PubChem (CID 113101912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).