N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide

C21H24N2O2 — CID 43911799

IUPACN-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-3-17(2)25-20-12-7-11-19(15-20)21(24)23(14-8-13-22)16-18-9-5-4-6-10-18/h4-7,9-12,15,17H,3,8,14,16H2,1-2H3
InChIKeyLHLNPIWBYLIRLZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide

N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide (PubChem CID 43911799) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
PubChem CID43911799
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-3-17(2)25-20-12-7-11-19(15-20)21(24)23(14-8-13-22)16-18-9-5-4-6-10-18/h4-7,9-12,15,17H,3,8,14,16H2,1-2H3
InChIKeyLHLNPIWBYLIRLZ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
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-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide?
The IUPAC name of N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide (CID 43911799) is N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide.
What is the SMILES notation for N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide?
The canonical SMILES for N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide is CCC(C)Oc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide?
The InChIKey is LHLNPIWBYLIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-17(2)25-20-12-7-11-19(15-20)21(24)23(14-8-13-22)16-18-9-5-4-6-10-18/h4-7,9-12,15,17H,3,8,14,16H2,1-2H3.
What are the key properties of N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide?
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide is sourced from PubChem (CID 43911799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).