tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate

C15H21NO3 — CID 23293154

IUPACtert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/CO)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(10-7-11-17)12-8-5-4-6-9-12/h4-10,13,17H,11H2,1-3H3,(H,16,18)/b10-7+
InChIKeyVKVNIZYMDHJBLA-JXMROGBWSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate

tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate (PubChem CID 23293154) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate
PubChem CID23293154
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/CO)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(10-7-11-17)12-8-5-4-6-9-12/h4-10,13,17H,11H2,1-3H3,(H,16,18)/b10-7+
InChIKeyVKVNIZYMDHJBLA-JXMROGBWSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
methyl (E,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 10990388
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
CID 148820696
ethyl (E,5S,6S)-5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-2-enoate
CID 44597263
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate (CID 23293154) is tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate is CC(C)(C)OC(=O)NC(/C=C/CO)c1ccccc1.
What is the InChIKey of tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate?
The InChIKey is VKVNIZYMDHJBLA-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13(10-7-11-17)12-8-5-4-6-9-12/h4-10,13,17H,11H2,1-3H3,(H,16,18)/b10-7+.
What are the key properties of tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate?
tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate is sourced from PubChem (CID 23293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).