tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate

C23H29NO3 — CID 19420331

IUPACtert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
SMILESC=CCC(O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-5-12-19(25)21(24-22(26)27-23(2,3)4)20(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,25H,1,12H2,2-4H3,(H,24,26)
InChIKeyONHMBSLCESHCNQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.65
Rot. Bonds7

About tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate

tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate (PubChem CID 19420331) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
PubChem CID19420331
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
SMILESC=CCC(O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-5-12-19(25)21(24-22(26)27-23(2,3)4)20(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,25H,1,12H2,2-4H3,(H,24,26)
InChIKeyONHMBSLCESHCNQ-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
CID 141150308
tert-butyl N-[(1S,2S)-2-hydroxy-1-phenylhex-5-enyl]carbamate
CID 45073699
tert-butyl N-(1-phenylbut-3-enoxy)carbamate
CID 11173083
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
bis(prop-2-enyl) 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 23659168
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977
[(4S,5S,6S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyocta-1,7-dien-4-yl] acetate
CID 53354852
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate (CID 19420331) is tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate is C=CCC(O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate?
The InChIKey is ONHMBSLCESHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-12-19(25)21(24-22(26)27-23(2,3)4)20(17-13-8-6-9-14-17)18-15-10-7-11-16-18/h5-11,13-16,19-21,25H,1,12H2,2-4H3,(H,24,26).
What are the key properties of tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate?
tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate is sourced from PubChem (CID 19420331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).