N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide

C25H26N2O4 — CID 28638954

IUPACN-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-15-16-31-23-13-11-20(12-14-23)25(29)27-22-10-6-9-21(17-22)24(28)26-18-19-7-4-3-5-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeySUVTUWYYBQLIMY-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.28
Rot. Bonds10

About N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide

N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide (PubChem CID 28638954) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
PubChem CID28638954
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-15-16-31-23-13-11-20(12-14-23)25(29)27-22-10-6-9-21(17-22)24(28)26-18-19-7-4-3-5-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeySUVTUWYYBQLIMY-UHFFFAOYSA-N
XLogP4.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.28
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-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 17112651
N-[(3-benzamidophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17235202
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 26169191
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide (CID 28638954) is N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide is CCOCCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is SUVTUWYYBQLIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-30-15-16-31-23-13-11-20(12-14-23)25(29)27-22-10-6-9-21(17-22)24(28)26-18-19-7-4-3-5-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 28638954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).