2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide

C16H22N2O2 — CID 107663138

IUPAC2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cc(C#N)ccc1C
InChIInChI=1S/C16H22N2O2/c1-5-6-12(3)18-16(19)13(4)20-15-9-14(10-17)8-7-11(15)2/h7-9,12-13H,5-6H2,1-4H3,(H,18,19)
InChIKeyQKTSIHNWHQCFTD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.94
Rot. Bonds6

About 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide

2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide (PubChem CID 107663138) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
PubChem CID107663138
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cc(C#N)ccc1C
InChIInChI=1S/C16H22N2O2/c1-5-6-12(3)18-16(19)13(4)20-15-9-14(10-17)8-7-11(15)2/h7-9,12-13H,5-6H2,1-4H3,(H,18,19)
InChIKeyQKTSIHNWHQCFTD-UHFFFAOYSA-N
XLogP2.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-methylbenzonitrile
CID 107659292
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 8939166
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide (CID 107663138) is 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1cc(C#N)ccc1C.
What is the InChIKey of 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is QKTSIHNWHQCFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-6-12(3)18-16(19)13(4)20-15-9-14(10-17)8-7-11(15)2/h7-9,12-13H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide?
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 107663138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).