tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper

C25H33CuN3O4 — CID 135501133

IUPACtert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper
SMILESCC(C)(C)OC(=O)NCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C25H33N3O4.Cu/c1-25(2,3)32-24(31)27-15-9-8-12-21(28-17-20-11-5-7-14-23(20)30)18-26-16-19-10-4-6-13-22(19)29;/h4-7,10-11,13-14,16-17,21,29-30H,8-9,12,15,18H2,1-3H3,(H,27,31);/b26-16+,28-17+;/t21-;/m0./s1
InChIKeyXZEPJLWFOFMSNW-RONPXTJGSA-N
MW503.10 g/mol
LogP4.70
Rot. Bonds10

About tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper

tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper (PubChem CID 135501133) has the molecular formula C25H33CuN3O4 and a molecular weight of 503.10 g/mol. Its IUPAC name is tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper.

Molecular Properties

Compound Nametert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper
PubChem CID135501133
Molecular FormulaC25H33CuN3O4
Molecular Weight503.10 g/mol
Exact Mass502.18
IUPAC Nametert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper
SMILESCC(C)(C)OC(=O)NCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C25H33N3O4.Cu/c1-25(2,3)32-24(31)27-15-9-8-12-21(28-17-20-11-5-7-14-23(20)30)18-26-16-19-10-4-6-13-22(19)29;/h4-7,10-11,13-14,16-17,21,29-30H,8-9,12,15,18H2,1-3H3,(H,27,31);/b26-16+,28-17+;/t21-;/m0./s1
InChIKeyXZEPJLWFOFMSNW-RONPXTJGSA-N
XLogP4.70
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.10
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate
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CID 173385151
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
CID 136632189
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenoxycarbonylamino)hexanoic acid
CID 10981399
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
CID 175281086
tert-butyl N-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)hexyl]carbamate
CID 129024055
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 59013213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper?
The IUPAC name of tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper (CID 135501133) is tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper.
What is the SMILES notation for tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper?
The canonical SMILES for tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper is CC(C)(C)OC(=O)NCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu].
What is the InChIKey of tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper?
The InChIKey is XZEPJLWFOFMSNW-RONPXTJGSA-N. The full InChI is InChI=1S/C25H33N3O4.Cu/c1-25(2,3)32-24(31)27-15-9-8-12-21(28-17-20-11-5-7-14-23(20)30)18-26-16-19-10-4-6-13-22(19)29;/h4-7,10-11,13-14,16-17,21,29-30H,8-9,12,15,18H2,1-3H3,(H,27,31);/b26-16+,28-17+;/t21-;/m0./s1.
What are the key properties of tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper?
tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper has a molecular weight of 503.10 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper is sourced from PubChem (CID 135501133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).