[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate

C18H27NO2 — CID 71409238

IUPAC[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate
SMILESCCCC=CNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C18H27NO2/c1-6-7-8-9-19-18(20)21-17-11-15(13(2)3)10-16(12-17)14(4)5/h8-14H,6-7H2,1-5H3,(H,19,20)
InChIKeyCVQQVSJARAWEEM-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.34
Rot. Bonds6

About [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate

[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate (PubChem CID 71409238) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate
PubChem CID71409238
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate
SMILESCCCC=CNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C18H27NO2/c1-6-7-8-9-19-18(20)21-17-11-15(13(2)3)10-16(12-17)14(4)5/h8-14H,6-7H2,1-5H3,(H,19,20)
InChIKeyCVQQVSJARAWEEM-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.34
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-pent-1-enylcarbamate?
The IUPAC name of [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate (CID 71409238) is [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate.
What is the SMILES notation for [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate?
The canonical SMILES for [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate is CCCC=CNC(=O)Oc1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate?
The InChIKey is CVQQVSJARAWEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-7-8-9-19-18(20)21-17-11-15(13(2)3)10-16(12-17)14(4)5/h8-14H,6-7H2,1-5H3,(H,19,20).
What are the key properties of [3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate?
[3,5-di(propan-2-yl)phenyl] N-pent-1-enylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 5.34, 6 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-pent-1-enylcarbamate is sourced from PubChem (CID 71409238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).