tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate

C15H21NO3 — CID 71540754

IUPACtert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
SMILESC=C(C)c1cc(OC)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)12-9-11(18-6)7-8-13(12)16-14(17)19-15(3,4)5/h7-9H,1H2,2-6H3,(H,16,17)
InChIKeyFKEBOJCSOMRJSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate

tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate (PubChem CID 71540754) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
PubChem CID71540754
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
SMILESC=C(C)c1cc(OC)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)12-9-11(18-6)7-8-13(12)16-14(17)19-15(3,4)5/h7-9H,1H2,2-6H3,(H,16,17)
InChIKeyFKEBOJCSOMRJSM-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate (CID 71540754) is tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate is C=C(C)c1cc(OC)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate?
The InChIKey is FKEBOJCSOMRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)12-9-11(18-6)7-8-13(12)16-14(17)19-15(3,4)5/h7-9H,1H2,2-6H3,(H,16,17).
What are the key properties of tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate?
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate is sourced from PubChem (CID 71540754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).