N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide

C16H20N2O2 — CID 18710449

IUPACN-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2(C#N)CCOCC2)c1
InChIInChI=1S/C16H20N2O2/c1-12-3-4-13(2)14(9-12)10-15(19)18-16(11-17)5-7-20-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyGTAIRJYYKGURPK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.03
Rot. Bonds3

About N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide

N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 18710449) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID18710449
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2(C#N)CCOCC2)c1
InChIInChI=1S/C16H20N2O2/c1-12-3-4-13(2)14(9-12)10-15(19)18-16(11-17)5-7-20-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyGTAIRJYYKGURPK-UHFFFAOYSA-N
XLogP2.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 87017526
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
(3S)-N-(4-cyanooxan-4-yl)-3-phenylpentanamide
CID 95628552
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
4-(2,5-dimethylphenyl)oxane-4-carboxylic acid
CID 82620301
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954073
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213043

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide (CID 18710449) is N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC2(C#N)CCOCC2)c1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is GTAIRJYYKGURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-3-4-13(2)14(9-12)10-15(19)18-16(11-17)5-7-20-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide?
N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 18710449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).