4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide

C19H23NO3 — CID 113101108

IUPAC4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C19H23NO3/c1-13-5-6-14(2)18(15(13)3)23-12-11-20-19(21)16-7-9-17(22-4)10-8-16/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeySWKUMQSHIUGSCZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds6

About 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide

4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide (PubChem CID 113101108) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
PubChem CID113101108
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C19H23NO3/c1-13-5-6-14(2)18(15(13)3)23-12-11-20-19(21)16-7-9-17(22-4)10-8-16/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeySWKUMQSHIUGSCZ-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide (CID 113101108) is 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide is COc1ccc(C(=O)NCCOc2c(C)ccc(C)c2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide?
The InChIKey is SWKUMQSHIUGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-5-6-14(2)18(15(13)3)23-12-11-20-19(21)16-7-9-17(22-4)10-8-16/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide?
4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113101108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).