4-methoxy-2-(2-phenoxyethoxy)benzamide

C16H17NO4 — CID 18085843

IUPAC4-methoxy-2-(2-phenoxyethoxy)benzamide
SMILESCOc1ccc(C(N)=O)c(OCCOc2ccccc2)c1
InChIInChI=1S/C16H17NO4/c1-19-13-7-8-14(16(17)18)15(11-13)21-10-9-20-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,17,18)
InChIKeyHBGHVEQTWHNAPH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.25
Rot. Bonds7

About 4-methoxy-2-(2-phenoxyethoxy)benzamide

4-methoxy-2-(2-phenoxyethoxy)benzamide (PubChem CID 18085843) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methoxy-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name4-methoxy-2-(2-phenoxyethoxy)benzamide
PubChem CID18085843
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name4-methoxy-2-(2-phenoxyethoxy)benzamide
SMILESCOc1ccc(C(N)=O)c(OCCOc2ccccc2)c1
InChIInChI=1S/C16H17NO4/c1-19-13-7-8-14(16(17)18)15(11-13)21-10-9-20-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,17,18)
InChIKeyHBGHVEQTWHNAPH-UHFFFAOYSA-N
XLogP2.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.25
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

methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
4-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 22685383
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680268
2-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 20990454
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
2-[2-(4-ethylphenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680564
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
4-methoxy-2-[2-oxo-2-(2-phenoxyanilino)ethoxy]benzamide
CID 17478551
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of 4-methoxy-2-(2-phenoxyethoxy)benzamide (CID 18085843) is 4-methoxy-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 4-methoxy-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 4-methoxy-2-(2-phenoxyethoxy)benzamide is COc1ccc(C(N)=O)c(OCCOc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(2-phenoxyethoxy)benzamide?
The InChIKey is HBGHVEQTWHNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-7-8-14(16(17)18)15(11-13)21-10-9-20-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,17,18).
What are the key properties of 4-methoxy-2-(2-phenoxyethoxy)benzamide?
4-methoxy-2-(2-phenoxyethoxy)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 18085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).