N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide

C29H26N2O4 — CID 4952787

IUPACN-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c32-28(23-15-17-25(18-16-23)35-20-19-34-24-11-5-2-6-12-24)31-27-14-8-7-13-26(27)29(33)30-21-22-9-3-1-4-10-22/h1-18H,19-21H2,(H,30,33)(H,31,32)
InChIKeyBRDPDPIYUSPUOL-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.33
Rot. Bonds10

About N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide

N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 4952787) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID4952787
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c32-28(23-15-17-25(18-16-23)35-20-19-34-24-11-5-2-6-12-24)31-27-14-8-7-13-26(27)29(33)30-21-22-9-3-1-4-10-22/h1-18H,19-21H2,(H,30,33)(H,31,32)
InChIKeyBRDPDPIYUSPUOL-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-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 17112651
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 4952787) is N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is BRDPDPIYUSPUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c32-28(23-15-17-25(18-16-23)35-20-19-34-24-11-5-2-6-12-24)31-27-14-8-7-13-26(27)29(33)30-21-22-9-3-1-4-10-22/h1-18H,19-21H2,(H,30,33)(H,31,32).
What are the key properties of N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]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-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4952787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).