N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

C29H26N2O4 — CID 28638908

IUPACN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C29H26N2O4/c32-28(30-21-22-10-3-1-4-11-22)23-12-9-13-24(20-23)31-29(33)26-16-7-8-17-27(26)35-19-18-34-25-14-5-2-6-15-25/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyBKJVPTJNVNCJDW-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.33
Rot. Bonds10

About N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 28638908) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID28638908
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C29H26N2O4/c32-28(30-21-22-10-3-1-4-11-22)23-12-9-13-24(20-23)31-29(33)26-16-7-8-17-27(26)35-19-18-34-25-14-5-2-6-15-25/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyBKJVPTJNVNCJDW-UHFFFAOYSA-N
XLogP5.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.33
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-phenylethoxy)benzamide
CID 28638963
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28639081
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
CID 139322954
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (CID 28638908) is N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is BKJVPTJNVNCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c32-28(30-21-22-10-3-1-4-11-22)23-12-9-13-24(20-23)31-29(33)26-16-7-8-17-27(26)35-19-18-34-25-14-5-2-6-15-25/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 28638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).