[3,5-di(propan-2-yl)phenyl] N-methylcarbamate

C14H21NO2 — CID 9503

IUPAC[3,5-di(propan-2-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-9(2)11-6-12(10(3)4)8-13(7-11)17-14(16)15-5/h6-10H,1-5H3,(H,15,16)
InChIKeyCUTUCYVZTGGYDL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.65
Rot. Bonds3

About [3,5-di(propan-2-yl)phenyl] N-methylcarbamate

[3,5-di(propan-2-yl)phenyl] N-methylcarbamate (PubChem CID 9503) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)phenyl] N-methylcarbamate
PubChem CID9503
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3,5-di(propan-2-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-9(2)11-6-12(10(3)4)8-13(7-11)17-14(16)15-5/h6-10H,1-5H3,(H,15,16)
InChIKeyCUTUCYVZTGGYDL-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)phenyl] N-methylcarbamate?
The IUPAC name of [3,5-di(propan-2-yl)phenyl] N-methylcarbamate (CID 9503) is [3,5-di(propan-2-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [3,5-di(propan-2-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [3,5-di(propan-2-yl)phenyl] N-methylcarbamate is CNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of [3,5-di(propan-2-yl)phenyl] N-methylcarbamate?
The InChIKey is CUTUCYVZTGGYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)11-6-12(10(3)4)8-13(7-11)17-14(16)15-5/h6-10H,1-5H3,(H,15,16).
What are the key properties of [3,5-di(propan-2-yl)phenyl] N-methylcarbamate?
[3,5-di(propan-2-yl)phenyl] N-methylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)phenyl] N-methylcarbamate is sourced from PubChem (CID 9503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).