N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide

C18H18N2O2 — CID 7964477

IUPACN-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O2/c1-2-20(13-15-7-4-3-5-8-15)18(21)14-22-17-10-6-9-16(11-17)12-19/h3-11H,2,13-14H2,1H3
InChIKeyKXOXULCLRRLVJD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds6

About N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide

N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide (PubChem CID 7964477) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
PubChem CID7964477
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C18H18N2O2/c1-2-20(13-15-7-4-3-5-8-15)18(21)14-22-17-10-6-9-16(11-17)12-19/h3-11H,2,13-14H2,1H3
InChIKeyKXOXULCLRRLVJD-UHFFFAOYSA-N
XLogP2.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
2-[2-[3-[2-[benzyl(ethyl)amino]-2-oxoethoxy]phenyl]ethoxy]benzoic acid
CID 91392337
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18202482
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8977275
3-(2-oxopentoxy)benzonitrile
CID 62044494
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide (CID 7964477) is N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)COc1cccc(C#N)c1.
What is the InChIKey of N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide?
The InChIKey is KXOXULCLRRLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-20(13-15-7-4-3-5-8-15)18(21)14-22-17-10-6-9-16(11-17)12-19/h3-11H,2,13-14H2,1H3.
What are the key properties of N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide?
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide is sourced from PubChem (CID 7964477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).