N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide

C20H19N3O2 — CID 78796248

IUPACN,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
SMILESN#CCCN(CCC#N)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c21-12-4-14-23(15-5-13-22)20(24)18-10-8-17(9-11-18)16-25-19-6-2-1-3-7-19/h1-3,6-11H,4-5,14-16H2
InChIKeyKVZLVJUQCYBYDJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.54
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide

N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide (PubChem CID 78796248) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
PubChem CID78796248
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
SMILESN#CCCN(CCC#N)C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c21-12-4-14-23(15-5-13-22)20(24)18-10-8-17(9-11-18)16-25-19-6-2-1-3-7-19/h1-3,6-11H,4-5,14-16H2
InChIKeyKVZLVJUQCYBYDJ-UHFFFAOYSA-N
XLogP3.54
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
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,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 57306314
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide (CID 78796248) is N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide is N#CCCN(CCC#N)C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide?
The InChIKey is KVZLVJUQCYBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-12-4-14-23(15-5-13-22)20(24)18-10-8-17(9-11-18)16-25-19-6-2-1-3-7-19/h1-3,6-11H,4-5,14-16H2.
What are the key properties of N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide?
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 78796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).