N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide

C24H22N2O2 — CID 43911737

IUPACN-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c25-16-7-17-26(18-20-8-3-1-4-9-20)24(27)22-12-14-23(15-13-22)28-19-21-10-5-2-6-11-21/h1-6,8-15H,7,17-19H2
InChIKeyJVABERDUBXKMFY-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.82
Rot. Bonds8

About N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide

N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide (PubChem CID 43911737) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
PubChem CID43911737
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c25-16-7-17-26(18-20-8-3-1-4-9-20)24(27)22-12-14-23(15-13-22)28-19-21-10-5-2-6-11-21/h1-6,8-15H,7,17-19H2
InChIKeyJVABERDUBXKMFY-UHFFFAOYSA-N
XLogP4.82
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide 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,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
CID 43911709
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide (CID 43911737) is N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide is N#CCCN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide?
The InChIKey is JVABERDUBXKMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-16-7-17-26(18-20-8-3-1-4-9-20)24(27)22-12-14-23(15-13-22)28-19-21-10-5-2-6-11-21/h1-6,8-15H,7,17-19H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide?
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 43911737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).