[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate

C25H22N2O3 — CID 2371757

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c26-17-21-11-13-23(14-12-21)25(29)30-19-24(28)27(18-22-9-5-2-6-10-22)16-15-20-7-3-1-4-8-20/h1-14H,15-16,18-19H2
InChIKeyQAFJFIQUEOSHAS-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.99
Rot. Bonds8

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate (PubChem CID 2371757) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
PubChem CID2371757
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c26-17-21-11-13-23(14-12-21)25(29)30-19-24(28)27(18-22-9-5-2-6-10-22)16-15-20-7-3-1-4-8-20/h1-14H,15-16,18-19H2
InChIKeyQAFJFIQUEOSHAS-UHFFFAOYSA-N
XLogP3.99
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate 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

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018452
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 9019787
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018342
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate (CID 2371757) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate is N#Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate?
The InChIKey is QAFJFIQUEOSHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c26-17-21-11-13-23(14-12-21)25(29)30-19-24(28)27(18-22-9-5-2-6-10-22)16-15-20-7-3-1-4-8-20/h1-14H,15-16,18-19H2.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate has a molecular weight of 398.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate is sourced from PubChem (CID 2371757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).