2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate

C17H25NO2 — CID 70139023

IUPAC2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate
SMILESC=C(C)c1cccc(C(C)(C)OC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)13-9-8-10-14(11-13)17(6,7)20-15(19)18-16(3,4)5/h8-11H,1H2,2-7H3,(H,18,19)
InChIKeyUGCPTQUKKKVYCR-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.48
Rot. Bonds3

About 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate

2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate (PubChem CID 70139023) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate
PubChem CID70139023
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate
SMILESC=C(C)c1cccc(C(C)(C)OC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)13-9-8-10-14(11-13)17(6,7)20-15(19)18-16(3,4)5/h8-11H,1H2,2-7H3,(H,18,19)
InChIKeyUGCPTQUKKKVYCR-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate?
The IUPAC name of 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate (CID 70139023) is 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate.
What is the SMILES notation for 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate?
The canonical SMILES for 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate is C=C(C)c1cccc(C(C)(C)OC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate?
The InChIKey is UGCPTQUKKKVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)13-9-8-10-14(11-13)17(6,7)20-15(19)18-16(3,4)5/h8-11H,1H2,2-7H3,(H,18,19).
What are the key properties of 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate?
2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-1-en-2-ylphenyl)propan-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 70139023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).