N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide

C24H25NO3 — CID 18282595

IUPACN-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
SMILESCc1cccc(OCCCOc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H25NO3/c1-19-9-7-12-21(17-19)27-15-8-16-28-23-14-6-5-13-22(23)24(26)25-18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26)
InChIKeyAGZXABWCQHHPMO-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.77
Rot. Bonds9

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

N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide (PubChem CID 18282595) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
PubChem CID18282595
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
SMILESCc1cccc(OCCCOc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H25NO3/c1-19-9-7-12-21(17-19)27-15-8-16-28-23-14-6-5-13-22(23)24(26)25-18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26)
InChIKeyAGZXABWCQHHPMO-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.77
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-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide?
The IUPAC name of N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide (CID 18282595) is N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide?
The canonical SMILES for N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide is Cc1cccc(OCCCOc2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide?
The InChIKey is AGZXABWCQHHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-19-9-7-12-21(17-19)27-15-8-16-28-23-14-6-5-13-22(23)24(26)25-18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26).
What are the key properties of N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide?
N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide is sourced from PubChem (CID 18282595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).