tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate

C23H30N2O6 — CID 91192198

IUPACtert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC=Cc1c(CNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O
InChIInChI=1S/C23H30N2O6/c1-22(2,3)30-20(28)24-12-11-16-17(13-25-21(29)31-23(4,5)6)19(27)15-10-8-7-9-14(15)18(16)26/h7-12,26-27H,13H2,1-6H3,(H,24,28)(H,25,29)
InChIKeySOEAPMKTWVZPDR-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.77
Rot. Bonds4

About tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate

tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate (PubChem CID 91192198) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate
PubChem CID91192198
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Nametert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC=Cc1c(CNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O
InChIInChI=1S/C23H30N2O6/c1-22(2,3)30-20(28)24-12-11-16-17(13-25-21(29)31-23(4,5)6)19(27)15-10-8-7-9-14(15)18(16)26/h7-12,26-27H,13H2,1-6H3,(H,24,28)(H,25,29)
InChIKeySOEAPMKTWVZPDR-UHFFFAOYSA-N
XLogP4.77
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
CID 175281086
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CID 118101370
tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
CID 140632383
tert-butyl N-[(2-benzoyl-1H-indol-3-yl)methyl]carbamate
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CID 102224062
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]ethyl]carbamate
CID 86595472
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
CID 177323312
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate (CID 91192198) is tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC=Cc1c(CNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O.
What is the InChIKey of tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate?
The InChIKey is SOEAPMKTWVZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-22(2,3)30-20(28)24-12-11-16-17(13-25-21(29)31-23(4,5)6)19(27)15-10-8-7-9-14(15)18(16)26/h7-12,26-27H,13H2,1-6H3,(H,24,28)(H,25,29).
What are the key properties of tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate?
tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate has a molecular weight of 430.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1,4-dihydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]naphthalen-2-yl]methyl]carbamate is sourced from PubChem (CID 91192198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).