N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide

C24H24N2O4 — CID 39574397

IUPACN-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-18(27)26-20-9-7-8-19(16-20)17-25-24(28)22-12-5-6-13-23(22)30-15-14-29-21-10-3-2-4-11-21/h2-13,16H,14-15,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyPNCAMVFMOUAIOQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.03
Rot. Bonds9

About N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide

N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 39574397) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID39574397
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-18(27)26-20-9-7-8-19(16-20)17-25-24(28)22-12-5-6-13-23(22)30-15-14-29-21-10-3-2-4-11-21/h2-13,16H,14-15,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyPNCAMVFMOUAIOQ-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
CID 139322954
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
CID 18282595
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28639081
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide (CID 39574397) is N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide is CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is PNCAMVFMOUAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-18(27)26-20-9-7-8-19(16-20)17-25-24(28)22-12-5-6-13-23(22)30-15-14-29-21-10-3-2-4-11-21/h2-13,16H,14-15,17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide?
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 39574397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).