2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide

C19H20N2O2 — CID 7535470

IUPAC2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-15-4-6-17(7-5-15)13-21(2)19(22)14-23-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3
InChIKeyVMJFAFHDDQRURN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide

2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide (PubChem CID 7535470) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
PubChem CID7535470
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-15-4-6-17(7-5-15)13-21(2)19(22)14-23-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3
InChIKeyVMJFAFHDDQRURN-UHFFFAOYSA-N
XLogP3.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
2-(4-cyanophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 47402694
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide (CID 7535470) is 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide is CCc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
The InChIKey is VMJFAFHDDQRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-15-4-6-17(7-5-15)13-21(2)19(22)14-23-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide?
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7535470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).