4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide

C24H25NO3 — CID 7709509

IUPAC4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
SMILESCc1cccc(OCCCOc2ccc(C(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C24H25NO3/c1-18-7-5-9-22(17-18)28-16-6-15-27-21-13-11-20(12-14-21)24(26)25-23-10-4-3-8-19(23)2/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,25,26)
InChIKeyHDXXIQVUPVUECY-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.40
Rot. Bonds8

About 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide

4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide (PubChem CID 7709509) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
PubChem CID7709509
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
SMILESCc1cccc(OCCCOc2ccc(C(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C24H25NO3/c1-18-7-5-9-22(17-18)28-16-6-15-27-21-13-11-20(12-14-21)24(26)25-23-10-4-3-8-19(23)2/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,25,26)
InChIKeyHDXXIQVUPVUECY-UHFFFAOYSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.40
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

N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide
CID 24534083

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide (CID 7709509) is 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide is Cc1cccc(OCCCOc2ccc(C(=O)Nc3ccccc3C)cc2)c1.
What is the InChIKey of 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide?
The InChIKey is HDXXIQVUPVUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18-7-5-9-22(17-18)28-16-6-15-27-21-13-11-20(12-14-21)24(26)25-23-10-4-3-8-19(23)2/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,25,26).
What are the key properties of 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide?
4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 7709509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).