2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide

C20H25NO4 — CID 113101223

IUPAC2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCOc1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO4/c1-13-11-15(3)18(12-14(13)2)25-10-9-21-20(22)19-16(23-4)7-6-8-17(19)24-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,22)
InChIKeyDVJWUNDAYBBREA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.44
Rot. Bonds7

About 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide

2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide (PubChem CID 113101223) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
PubChem CID113101223
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCOc1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO4/c1-13-11-15(3)18(12-14(13)2)25-10-9-21-20(22)19-16(23-4)7-6-8-17(19)24-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,22)
InChIKeyDVJWUNDAYBBREA-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide (CID 113101223) is 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCOc1cc(C)c(C)cc1C.
What is the InChIKey of 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The InChIKey is DVJWUNDAYBBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-11-15(3)18(12-14(13)2)25-10-9-21-20(22)19-16(23-4)7-6-8-17(19)24-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,22).
What are the key properties of 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113101223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).