(2-propan-2-ylphenyl)methyl N-methylcarbamate

C12H17NO2 — CID 19987801

IUPAC(2-propan-2-ylphenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1C(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)11-7-5-4-6-10(11)8-15-12(14)13-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeySHLNUKFOOAZKDU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.67
Rot. Bonds3

About (2-propan-2-ylphenyl)methyl N-methylcarbamate

(2-propan-2-ylphenyl)methyl N-methylcarbamate (PubChem CID 19987801) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-propan-2-ylphenyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl)methyl N-methylcarbamate
PubChem CID19987801
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-propan-2-ylphenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1C(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)11-7-5-4-6-10(11)8-15-12(14)13-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeySHLNUKFOOAZKDU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-propan-2-ylphenyl)acetamide
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1,3-bis(2-propan-2-ylphenyl)propan-2-one
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[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
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N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
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2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate
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ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
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1-benzyl-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl)methyl N-methylcarbamate?
The IUPAC name of (2-propan-2-ylphenyl)methyl N-methylcarbamate (CID 19987801) is (2-propan-2-ylphenyl)methyl N-methylcarbamate.
What is the SMILES notation for (2-propan-2-ylphenyl)methyl N-methylcarbamate?
The canonical SMILES for (2-propan-2-ylphenyl)methyl N-methylcarbamate is CNC(=O)OCc1ccccc1C(C)C.
What is the InChIKey of (2-propan-2-ylphenyl)methyl N-methylcarbamate?
The InChIKey is SHLNUKFOOAZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)11-7-5-4-6-10(11)8-15-12(14)13-3/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of (2-propan-2-ylphenyl)methyl N-methylcarbamate?
(2-propan-2-ylphenyl)methyl N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl)methyl N-methylcarbamate is sourced from PubChem (CID 19987801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).