N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide

C13H16N2O2 — CID 62328244

IUPACN-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
SMILESCCC(C)Oc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7H2,1-2H3,(H,15,16)
InChIKeyKQBOBAYHAXJAMB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds5

About N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide

N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide (PubChem CID 62328244) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
PubChem CID62328244
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
SMILESCCC(C)Oc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C13H16N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7H2,1-2H3,(H,15,16)
InChIKeyKQBOBAYHAXJAMB-UHFFFAOYSA-N
XLogP2.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
N'-(3-butan-2-yloxyphenyl)-N-(cyanomethyl)oxamide
CID 62328417
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide (CID 62328244) is N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide is CCC(C)Oc1cccc(NC(=O)CC#N)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide?
The InChIKey is KQBOBAYHAXJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide?
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide has a molecular weight of 232.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide is sourced from PubChem (CID 62328244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).