4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide

C19H21NO4 — CID 141308802

IUPAC4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide
SMILESCOc1ccc(C(N)=O)cc1OCCc1cccc(C2COC2)c1
InChIInChI=1S/C19H21NO4/c1-22-17-6-5-15(19(20)21)10-18(17)24-8-7-13-3-2-4-14(9-13)16-11-23-12-16/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,20,21)
InChIKeySZBFYEKIHLHZMC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.53
Rot. Bonds7

About 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide

4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide (PubChem CID 141308802) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide
PubChem CID141308802
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide
SMILESCOc1ccc(C(N)=O)cc1OCCc1cccc(C2COC2)c1
InChIInChI=1S/C19H21NO4/c1-22-17-6-5-15(19(20)21)10-18(17)24-8-7-13-3-2-4-14(9-13)16-11-23-12-16/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,20,21)
InChIKeySZBFYEKIHLHZMC-UHFFFAOYSA-N
XLogP2.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide
CID 141423954
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-methoxy-3-pentoxybenzamide
CID 82041442
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
ethyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 67168969
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
1-[2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-4-methylcyclohexane-1-carboxylic acid
CID 158295505
4-butoxy-3-methoxybenzamide
CID 47102628
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
2-[2-[3-[2-[3-(2-aminoethyl)phenyl]ethoxy]-4-methoxyphenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318437
4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
CID 169173043
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide?
The IUPAC name of 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide (CID 141308802) is 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide.
What is the SMILES notation for 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide?
The canonical SMILES for 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide is COc1ccc(C(N)=O)cc1OCCc1cccc(C2COC2)c1.
What is the InChIKey of 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide?
The InChIKey is SZBFYEKIHLHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-17-6-5-15(19(20)21)10-18(17)24-8-7-13-3-2-4-14(9-13)16-11-23-12-16/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,20,21).
What are the key properties of 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide?
4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide is sourced from PubChem (CID 141308802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).