(2-butan-2-ylphenyl) N-methylcarbamate

C12H17NO2 — CID 19588

IUPAC(2-butan-2-ylphenyl) N-methylcarbamate
SMILESCCC(C)c1ccccc1OC(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyDIRFUJHNVNOBMY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.92
Rot. Bonds3

About (2-butan-2-ylphenyl) N-methylcarbamate

(2-butan-2-ylphenyl) N-methylcarbamate (PubChem CID 19588) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-butan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-butan-2-ylphenyl) N-methylcarbamate
PubChem CID19588
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-butan-2-ylphenyl) N-methylcarbamate
SMILESCCC(C)c1ccccc1OC(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyDIRFUJHNVNOBMY-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butan-2-ylphenyl) 2,3-dihydroxypropanoate
CID 129186368
(2-butan-2-ylphenyl) 2-(phenylmethoxycarbonylamino)propanoate
CID 141165166
[2-(1-chloroicosyl)phenyl] N-methylcarbamate
CID 54095780
(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate
CID 71409261
(2-butan-2-ylphenyl) N-methylcarbamate;methyl N-(1H-benzimidazol-2-yl)carbamate;methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
CID 172981549
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797
ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate
CID 3040431
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (2-butan-2-ylphenyl) N-methylcarbamate (CID 19588) is (2-butan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-butan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (2-butan-2-ylphenyl) N-methylcarbamate is CCC(C)c1ccccc1OC(=O)NC.
What is the InChIKey of (2-butan-2-ylphenyl) N-methylcarbamate?
The InChIKey is DIRFUJHNVNOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of (2-butan-2-ylphenyl) N-methylcarbamate?
(2-butan-2-ylphenyl) N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 19588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).