N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide

C21H24N2O2 — CID 43911709

IUPACN-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-17(2)16-25-20-11-9-19(10-12-20)21(24)23(14-6-13-22)15-18-7-4-3-5-8-18/h3-5,7-12,17H,6,14-16H2,1-2H3
InChIKeyZQTZGAWUBBEDBR-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.28
Rot. Bonds8

About N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide

N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide (PubChem CID 43911709) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
PubChem CID43911709
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-17(2)16-25-20-11-9-19(10-12-20)21(24)23(14-6-13-22)15-18-7-4-3-5-8-18/h3-5,7-12,17H,6,14-16H2,1-2H3
InChIKeyZQTZGAWUBBEDBR-UHFFFAOYSA-N
XLogP4.28
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
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-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide (CID 43911709) is N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is ZQTZGAWUBBEDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-17(2)16-25-20-11-9-19(10-12-20)21(24)23(14-6-13-22)15-18-7-4-3-5-8-18/h3-5,7-12,17H,6,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide?
N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.28, 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 43911709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).