2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide

C26H28N2O3 — CID 55801849

IUPAC2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-2-31-17-9-16-27-25(29)22-13-8-14-23(19-22)28-26(30)24-15-7-6-12-21(24)18-20-10-4-3-5-11-20/h3-8,10-15,19H,2,9,16-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyIPCOAUGRADGENJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.69
Rot. Bonds10

About 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide

2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide (PubChem CID 55801849) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
PubChem CID55801849
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-2-31-17-9-16-27-25(29)22-13-8-14-23(19-22)28-26(30)24-15-7-6-12-21(24)18-20-10-4-3-5-11-20/h3-8,10-15,19H,2,9,16-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyIPCOAUGRADGENJ-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
CID 17197044
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 55801625
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide (CID 55801849) is 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide?
The InChIKey is IPCOAUGRADGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-31-17-9-16-27-25(29)22-13-8-14-23(19-22)28-26(30)24-15-7-6-12-21(24)18-20-10-4-3-5-11-20/h3-8,10-15,19H,2,9,16-18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide?
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55801849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).