2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide

C14H18N2O3 — CID 106247860

IUPAC2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
SMILESCOCC(O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-10-12(17)7-8-16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-8,10H2,1H3,(H,16,18)
InChIKeyDFXPIDUBPKQJDF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.81
Rot. Bonds7

About 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide

2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide (PubChem CID 106247860) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
PubChem CID106247860
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
SMILESCOCC(O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-10-12(17)7-8-16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-8,10H2,1H3,(H,16,18)
InChIKeyDFXPIDUBPKQJDF-UHFFFAOYSA-N
XLogP0.81
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide (CID 106247860) is 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide is COCC(O)CCNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide?
The InChIKey is DFXPIDUBPKQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-10-12(17)7-8-16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-8,10H2,1H3,(H,16,18).
What are the key properties of 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide?
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide is sourced from PubChem (CID 106247860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).