2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C16H22N2O3 — CID 111596351

IUPAC2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(OCC#N)cc1
InChIInChI=1S/C16H22N2O3/c1-4-18(12-16(2,3)20)15(19)11-13-5-7-14(8-6-13)21-10-9-17/h5-8,20H,4,10-12H2,1-3H3
InChIKeyGMIWMIPKNGGKOY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.75
Rot. Bonds7

About 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 111596351) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID111596351
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(OCC#N)cc1
InChIInChI=1S/C16H22N2O3/c1-4-18(12-16(2,3)20)15(19)11-13-5-7-14(8-6-13)21-10-9-17/h5-8,20H,4,10-12H2,1-3H3
InChIKeyGMIWMIPKNGGKOY-UHFFFAOYSA-N
XLogP1.75
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79377312
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531117
2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79378440
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
tert-butyl N-[4-[2-[cyanomethyl(ethyl)amino]-2-oxoethyl]phenyl]carbamate
CID 86859446
3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79376617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 111596351) is 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)Cc1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is GMIWMIPKNGGKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-18(12-16(2,3)20)15(19)11-13-5-7-14(8-6-13)21-10-9-17/h5-8,20H,4,10-12H2,1-3H3.
What are the key properties of 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 111596351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).