2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide

C15H20N2O2 — CID 104761601

IUPAC2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
SMILESCOC(C)(C)CNC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,19-3)11-17-14(18)13(10-16)9-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,17,18)
InChIKeyMDJIVDSRNGDTEY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds6

About 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide

2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide (PubChem CID 104761601) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
PubChem CID104761601
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
SMILESCOC(C)(C)CNC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,19-3)11-17-14(18)13(10-16)9-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,17,18)
InChIKeyMDJIVDSRNGDTEY-UHFFFAOYSA-N
XLogP1.91
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
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2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
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(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508
tert-butyl N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
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2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
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CID 115188479

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide (CID 104761601) is 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide is COC(C)(C)CNC(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide?
The InChIKey is MDJIVDSRNGDTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,19-3)11-17-14(18)13(10-16)9-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide?
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 104761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).