tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate

C21H25NO2 — CID 148820696

IUPACtert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)24-20(23)22-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-15,19H,16H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyORSNIQHXMJFIQI-LJQANCHMSA-N
MW323.44 g/mol
LogP5.36
Rot. Bonds5

About tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate

tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate (PubChem CID 148820696) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
PubChem CID148820696
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nametert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)24-20(23)22-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-15,19H,16H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyORSNIQHXMJFIQI-LJQANCHMSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 10990388
(E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
CID 7009100
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[(4E)-1-phenylhepta-4,6-dienyl]carbamate
CID 101201428
tert-butyl N-[(E,1S,3S)-3-hydroxy-7-oxo-1,7-diphenylhept-5-enyl]carbamate
CID 102420534
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] ethanethioate
CID 59924169
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate (CID 148820696) is tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate is CC(C)(C)OC(=O)N[C@H](CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate?
The InChIKey is ORSNIQHXMJFIQI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,3)24-20(23)22-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-15,19H,16H2,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate?
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate is sourced from PubChem (CID 148820696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).