3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide

C18H21NO3 — CID 24533352

IUPAC3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO3/c1-14-6-3-9-17(12-14)22-11-5-10-19-18(20)15-7-4-8-16(13-15)21-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,19,20)
InChIKeyOXBGOFPJFJGQOV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds7

About 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide

3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide (PubChem CID 24533352) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
PubChem CID24533352
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO3/c1-14-6-3-9-17(12-14)22-11-5-10-19-18(20)15-7-4-8-16(13-15)21-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,19,20)
InChIKeyOXBGOFPJFJGQOV-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
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-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide (CID 24533352) is 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide is COc1cccc(C(=O)NCCCOc2cccc(C)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The InChIKey is OXBGOFPJFJGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-6-3-9-17(12-14)22-11-5-10-19-18(20)15-7-4-8-16(13-15)21-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 24533352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).