tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate

C15H21NO3 — CID 17097680

IUPACtert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
SMILESC=C(C)COc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-18-13-8-6-12(7-9-13)16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)
InChIKeyOAFJROKRHXJWAM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate

tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate (PubChem CID 17097680) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
PubChem CID17097680
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
SMILESC=C(C)COc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-18-13-8-6-12(7-9-13)16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)
InChIKeyOAFJROKRHXJWAM-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
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4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
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tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
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tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
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prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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CID 168866198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate (CID 17097680) is tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate is C=C(C)COc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate?
The InChIKey is OAFJROKRHXJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)10-18-13-8-6-12(7-9-13)16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17).
What are the key properties of tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate?
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate is sourced from PubChem (CID 17097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).