methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate

C13H16N2O2 — CID 146507319

IUPACmethyl N-(2-butan-2-yl-6-cyanophenyl)carbamate
SMILESCCC(C)c1cccc(C#N)c1NC(=O)OC
InChIInChI=1S/C13H16N2O2/c1-4-9(2)11-7-5-6-10(8-14)12(11)15-13(16)17-3/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyRYKLQVFJHBUWNO-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.25
Rot. Bonds3

About methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate

methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate (PubChem CID 146507319) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-butan-2-yl-6-cyanophenyl)carbamate
PubChem CID146507319
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl N-(2-butan-2-yl-6-cyanophenyl)carbamate
SMILESCCC(C)c1cccc(C#N)c1NC(=O)OC
InChIInChI=1S/C13H16N2O2/c1-4-9(2)11-7-5-6-10(8-14)12(11)15-13(16)17-3/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyRYKLQVFJHBUWNO-UHFFFAOYSA-N
XLogP3.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
N-(2,6-dicyanophenyl)acetamide
CID 151583122
3-butan-2-yl-2-[(E)-hydroxyiminomethyl]benzonitrile
CID 134177899
N-[2-amino-2-(2-butan-2-yl-6-cyanophenyl)ethyl]prop-2-enamide
CID 168905818
(2-cyano-6-propan-2-ylphenyl) methyl carbonate
CID 134168255
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate?
The IUPAC name of methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate (CID 146507319) is methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate.
What is the SMILES notation for methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate?
The canonical SMILES for methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate is CCC(C)c1cccc(C#N)c1NC(=O)OC.
What is the InChIKey of methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate?
The InChIKey is RYKLQVFJHBUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-9(2)11-7-5-6-10(8-14)12(11)15-13(16)17-3/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate?
methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-butan-2-yl-6-cyanophenyl)carbamate is sourced from PubChem (CID 146507319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).