(3,5-ditert-butylphenyl) N-methylcarbamate

C16H25NO2 — CID 17564

IUPAC(3,5-ditert-butylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
InChIKeySLZWBCGZQRRUNG-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.00
Rot. Bonds1

About (3,5-ditert-butylphenyl) N-methylcarbamate

(3,5-ditert-butylphenyl) N-methylcarbamate (PubChem CID 17564) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3,5-ditert-butylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3,5-ditert-butylphenyl) N-methylcarbamate
PubChem CID17564
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3,5-ditert-butylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
InChIKeySLZWBCGZQRRUNG-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butylphenyl) N-methylcarbamate?
The IUPAC name of (3,5-ditert-butylphenyl) N-methylcarbamate (CID 17564) is (3,5-ditert-butylphenyl) N-methylcarbamate.
What is the SMILES notation for (3,5-ditert-butylphenyl) N-methylcarbamate?
The canonical SMILES for (3,5-ditert-butylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of (3,5-ditert-butylphenyl) N-methylcarbamate?
The InChIKey is SLZWBCGZQRRUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18).
What are the key properties of (3,5-ditert-butylphenyl) N-methylcarbamate?
(3,5-ditert-butylphenyl) N-methylcarbamate has a molecular weight of 263.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenyl) N-methylcarbamate is sourced from PubChem (CID 17564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).