2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide

C13H16N2O3 — CID 9113198

IUPAC2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C13H16N2O3/c1-10(8-17-2)15-13(16)9-18-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNSGZYDBCHVDTHP-SNVBAGLBSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 9113198) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID9113198
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C13H16N2O3/c1-10(8-17-2)15-13(16)9-18-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNSGZYDBCHVDTHP-SNVBAGLBSA-N
XLogP1.09
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 103760436
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60624302
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51286906
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 9113198) is 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)COc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is NSGZYDBCHVDTHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10(8-17-2)15-13(16)9-18-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 9113198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).