N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

C19H20N2O3 — CID 7763278

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C19H20N2O3/c1-13(2)19(3,12-20)21-18(23)11-24-17-9-8-14-6-4-5-7-15(14)16(17)10-22/h4-10,13H,11H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyAGFDYCQZWIUSBQ-LJQANCHMSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds6

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 7763278) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID7763278
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C19H20N2O3/c1-13(2)19(3,12-20)21-18(23)11-24-17-9-8-14-6-4-5-7-15(14)16(17)10-22/h4-10,13H,11H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyAGFDYCQZWIUSBQ-LJQANCHMSA-N
XLogP3.09
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 75389379
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 7763278) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is CC(C)[C@@](C)(C#N)NC(=O)COc1ccc2ccccc2c1C=O.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is AGFDYCQZWIUSBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)19(3,12-20)21-18(23)11-24-17-9-8-14-6-4-5-7-15(14)16(17)10-22/h4-10,13H,11H2,1-3H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 324.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7763278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).