2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide

C14H18N2O3 — CID 48685478

IUPAC2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)CNC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O3/c1-11(9-18-2)8-16-14(17)10-19-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyNUBGGQJFICEKBP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.34
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide

2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide (PubChem CID 48685478) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
PubChem CID48685478
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)CNC(=O)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O3/c1-11(9-18-2)8-16-14(17)10-19-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyNUBGGQJFICEKBP-UHFFFAOYSA-N
XLogP1.34
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
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CID 24691899
2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
CID 115764495
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
CID 86858145
2-(2-cyanophenoxy)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]acetamide
CID 30901944
2-(2-cyanophenoxy)-N-(1-ethoxypropan-2-yl)acetamide
CID 47903365
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide (CID 48685478) is 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide is COCC(C)CNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide?
The InChIKey is NUBGGQJFICEKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(9-18-2)8-16-14(17)10-19-13-6-4-3-5-12(13)7-15/h3-6,11H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide?
2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 48685478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).