N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide

C21H24N2O2 — CID 54790398

IUPACN-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-17(2)25-20-11-9-19(10-12-20)21(24)23(15-6-14-22)16-13-18-7-4-3-5-8-18/h3-5,7-12,17H,6,13,15-16H2,1-2H3
InChIKeyOHFCDYGBQWOCFP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.07
Rot. Bonds8

About N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide

N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide (PubChem CID 54790398) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
PubChem CID54790398
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-17(2)25-20-11-9-19(10-12-20)21(24)23(15-6-14-22)16-13-18-7-4-3-5-8-18/h3-5,7-12,17H,6,13,15-16H2,1-2H3
InChIKeyOHFCDYGBQWOCFP-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
CID 43911709
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 57306314

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide (CID 54790398) is N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(CCC#N)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide?
The InChIKey is OHFCDYGBQWOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-17(2)25-20-11-9-19(10-12-20)21(24)23(15-6-14-22)16-13-18-7-4-3-5-8-18/h3-5,7-12,17H,6,13,15-16H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide?
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide has a molecular weight of 336.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 54790398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).