N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide

C14H18N2O2 — CID 165436416

IUPACN-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1c(C)cc(C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-9-5-13(7-15)6-10(2)14(9)18-8-11(3)16-12(4)17/h5-6,11H,8H2,1-4H3,(H,16,17)
InChIKeyMBJFTJLFDFIIDV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide

N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 165436416) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
PubChem CID165436416
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1c(C)cc(C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-9-5-13(7-15)6-10(2)14(9)18-8-11(3)16-12(4)17/h5-6,11H,8H2,1-4H3,(H,16,17)
InChIKeyMBJFTJLFDFIIDV-UHFFFAOYSA-N
XLogP2.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
4-(2-hydroxybutoxy)-3,5-dimethylbenzonitrile
CID 65454290
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
methyl (2S)-2-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 103338073
methyl 3-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 65454282
methyl 3-(4-cyano-2,6-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79622459
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
3,5-dimethyl-4-(3-oxopropoxy)benzonitrile
CID 65470226
N-butyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471896
2-(4-cyano-2,6-dimethylphenoxy)-N,N-diethylpropanamide
CID 65471517

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The IUPAC name of N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide (CID 165436416) is N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide is CC(=O)NC(C)COc1c(C)cc(C#N)cc1C.
What is the InChIKey of N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide?
The InChIKey is MBJFTJLFDFIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-13(7-15)6-10(2)14(9)18-8-11(3)16-12(4)17/h5-6,11H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide?
N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 165436416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).