4-[2-(2-methylphenoxy)ethoxy]benzamide

C16H17NO3 — CID 7893411

IUPAC4-[2-(2-methylphenoxy)ethoxy]benzamide
SMILESCc1ccccc1OCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)20-11-10-19-14-8-6-13(7-9-14)16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyBQTQXDTXLDMYIT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.55
Rot. Bonds6

About 4-[2-(2-methylphenoxy)ethoxy]benzamide

4-[2-(2-methylphenoxy)ethoxy]benzamide (PubChem CID 7893411) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(2-methylphenoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(2-methylphenoxy)ethoxy]benzamide
PubChem CID7893411
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[2-(2-methylphenoxy)ethoxy]benzamide
SMILESCc1ccccc1OCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)20-11-10-19-14-8-6-13(7-9-14)16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyBQTQXDTXLDMYIT-UHFFFAOYSA-N
XLogP2.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.55
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

2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 24848295
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795
N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
CID 7709107
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061
4-(4-propoxyphenyl)benzamide
CID 23771495

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenoxy)ethoxy]benzamide?
The IUPAC name of 4-[2-(2-methylphenoxy)ethoxy]benzamide (CID 7893411) is 4-[2-(2-methylphenoxy)ethoxy]benzamide.
What is the SMILES notation for 4-[2-(2-methylphenoxy)ethoxy]benzamide?
The canonical SMILES for 4-[2-(2-methylphenoxy)ethoxy]benzamide is Cc1ccccc1OCCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(2-methylphenoxy)ethoxy]benzamide?
The InChIKey is BQTQXDTXLDMYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-4-2-3-5-15(12)20-11-10-19-14-8-6-13(7-9-14)16(17)18/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of 4-[2-(2-methylphenoxy)ethoxy]benzamide?
4-[2-(2-methylphenoxy)ethoxy]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenoxy)ethoxy]benzamide is sourced from PubChem (CID 7893411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).