2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide

C15H20N2O2 — CID 114942410

IUPAC2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide
SMILESCCOC(C)(C)CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-4-19-15(2,3)11-17-14(18)9-12-5-7-13(10-16)8-6-12/h5-8H,4,9,11H2,1-3H3,(H,17,18)
InChIKeyJZTHOKLNEFAOKA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide

2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide (PubChem CID 114942410) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide
PubChem CID114942410
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide
SMILESCCOC(C)(C)CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-4-19-15(2,3)11-17-14(18)9-12-5-7-13(10-16)8-6-12/h5-8H,4,9,11H2,1-3H3,(H,17,18)
InChIKeyJZTHOKLNEFAOKA-UHFFFAOYSA-N
XLogP2.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
ethyl (2S)-4-(4-cyanophenyl)-2-methyl-3-oxobutanoate
CID 129384790
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide (CID 114942410) is 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide is CCOC(C)(C)CNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide?
The InChIKey is JZTHOKLNEFAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-19-15(2,3)11-17-14(18)9-12-5-7-13(10-16)8-6-12/h5-8H,4,9,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide?
2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 114942410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).