tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate

C15H22N2O2 — CID 21186039

IUPACtert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
SMILESC/C=C(/Cc1ccccc1)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-5-13(11-12-9-7-6-8-10-12)16-17-14(18)19-15(2,3)4/h5-10,16H,11H2,1-4H3,(H,17,18)/b13-5-
InChIKeyHGNDWFDJMKVAHZ-ACAGNQJTSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate

tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate (PubChem CID 21186039) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
PubChem CID21186039
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
SMILESC/C=C(/Cc1ccccc1)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-5-13(11-12-9-7-6-8-10-12)16-17-14(18)19-15(2,3)4/h5-10,16H,11H2,1-4H3,(H,17,18)/b13-5-
InChIKeyHGNDWFDJMKVAHZ-ACAGNQJTSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
CID 15408414
tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
CID 102211482
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[(C-benzyl-N-cyclopentylcarbonimidoyl)amino]carbamate
CID 50998914
tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
CID 10981687
tert-butyl N-[2-methyl-1-[(2-phenylacetyl)amino]prop-1-enyl]carbamate
CID 176957250
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
tert-butyl N-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]carbamate
CID 174718495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate (CID 21186039) is tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate is C/C=C(/Cc1ccccc1)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate?
The InChIKey is HGNDWFDJMKVAHZ-ACAGNQJTSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-13(11-12-9-7-6-8-10-12)16-17-14(18)19-15(2,3)4/h5-10,16H,11H2,1-4H3,(H,17,18)/b13-5-.
What are the key properties of tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate?
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate is sourced from PubChem (CID 21186039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).