methyl N-[2,6-di(propan-2-yl)phenyl]carbamate

C14H21NO2 — CID 616592

IUPACmethyl N-[2,6-di(propan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)11-7-6-8-12(10(3)4)13(11)15-14(16)17-5/h6-10H,1-5H3,(H,15,16)
InChIKeyJQDLSVLPYFAASJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.11
Rot. Bonds3

About methyl N-[2,6-di(propan-2-yl)phenyl]carbamate

methyl N-[2,6-di(propan-2-yl)phenyl]carbamate (PubChem CID 616592) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl N-[2,6-di(propan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2,6-di(propan-2-yl)phenyl]carbamate
PubChem CID616592
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl N-[2,6-di(propan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)11-7-6-8-12(10(3)4)13(11)15-14(16)17-5/h6-10H,1-5H3,(H,15,16)
InChIKeyJQDLSVLPYFAASJ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2,6-di(propan-2-yl)phenyl]carbamate?
The IUPAC name of methyl N-[2,6-di(propan-2-yl)phenyl]carbamate (CID 616592) is methyl N-[2,6-di(propan-2-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2,6-di(propan-2-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[2,6-di(propan-2-yl)phenyl]carbamate is COC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of methyl N-[2,6-di(propan-2-yl)phenyl]carbamate?
The InChIKey is JQDLSVLPYFAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)11-7-6-8-12(10(3)4)13(11)15-14(16)17-5/h6-10H,1-5H3,(H,15,16).
What are the key properties of methyl N-[2,6-di(propan-2-yl)phenyl]carbamate?
methyl N-[2,6-di(propan-2-yl)phenyl]carbamate has a molecular weight of 235.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,6-di(propan-2-yl)phenyl]carbamate is sourced from PubChem (CID 616592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).