tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate

C15H19NO3 — CID 134856475

IUPACtert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate
SMILESC=C=CC(ONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h6-11,13H,1H2,2-4H3,(H,16,17)
InChIKeyKGJKVCIQXIZZMW-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate

tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate (PubChem CID 134856475) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate
PubChem CID134856475
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate
SMILESC=C=CC(ONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h6-11,13H,1H2,2-4H3,(H,16,17)
InChIKeyKGJKVCIQXIZZMW-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Phenprobamate
CID 4770
Hydroxyphenamate
CID 5752
Styramate
CID 7186
Carfimate
CID 19111
Benzyl hydroxycarbamate
CID 18907
Benzyloxyurea
CID 231398
Benzyl carbamate
CID 12136
Benzyl (benzyloxy)carbamate
CID 13417381
Phenethyl carbamate
CID 233105
Benzeneethanol, beta-ethyl-, 1-carbamate
CID 59898507
Betaquil
CID 12825
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate?
The IUPAC name of tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate (CID 134856475) is tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate is C=C=CC(ONC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate?
The InChIKey is KGJKVCIQXIZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h6-11,13H,1H2,2-4H3,(H,16,17).
What are the key properties of tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate?
tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylbuta-2,3-dienoxy)carbamate is sourced from PubChem (CID 134856475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).