(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate

C17H27NO2 — CID 15967

IUPAC(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
InChIKeyPNRAZZZISDRWMV-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.31
Rot. Bonds1

About (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate

(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate (PubChem CID 15967) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
PubChem CID15967
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
InChIKeyPNRAZZZISDRWMV-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate?
The IUPAC name of (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate (CID 15967) is (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate?
The canonical SMILES for (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate is CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C.
What is the InChIKey of (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate?
The InChIKey is PNRAZZZISDRWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19).
What are the key properties of (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate?
(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate has a molecular weight of 277.41 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 15967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).