N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide

C19H20N2O2 — CID 43911736

IUPACN-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-11-6-10-17(14-18)19(22)21(13-7-12-20)15-16-8-4-3-5-9-16/h3-6,8-11,14H,2,7,13,15H2,1H3
InChIKeyZEGUJXXKWTXGMQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.64
Rot. Bonds7

About N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide

N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide (PubChem CID 43911736) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
PubChem CID43911736
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-11-6-10-17(14-18)19(22)21(13-7-12-20)15-16-8-4-3-5-9-16/h3-6,8-11,14H,2,7,13,15H2,1H3
InChIKeyZEGUJXXKWTXGMQ-UHFFFAOYSA-N
XLogP3.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
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)-4-(2-methylpropoxy)benzamide
CID 43911709
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide (CID 43911736) is N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide is CCOc1cccc(C(=O)N(CCC#N)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide?
The InChIKey is ZEGUJXXKWTXGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-18-11-6-10-17(14-18)19(22)21(13-7-12-20)15-16-8-4-3-5-9-16/h3-6,8-11,14H,2,7,13,15H2,1H3.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide?
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.64, 7 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)-3-ethoxybenzamide is sourced from PubChem (CID 43911736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).