N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide

C13H16N2O3 — CID 71849706

IUPACN-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide
SMILESCOCC(C)(C#N)NC(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-13(9-14,10-17-2)15-12(16)8-18-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16)
InChIKeyKJONTCSIXNQTQZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.11
Rot. Bonds6

About N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide

N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide (PubChem CID 71849706) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide
PubChem CID71849706
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide
SMILESCOCC(C)(C#N)NC(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-13(9-14,10-17-2)15-12(16)8-18-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16)
InChIKeyKJONTCSIXNQTQZ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide (CID 71849706) is N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide is COCC(C)(C#N)NC(=O)COc1ccccc1.
What is the InChIKey of N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide?
The InChIKey is KJONTCSIXNQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(9-14,10-17-2)15-12(16)8-18-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide?
N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide has a molecular weight of 248.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methoxypropan-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 71849706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).