tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate

C18H27NO4 — CID 66674647

IUPACtert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO4/c1-17(2,3)23-16(21)19-15-14(22-6)9-11-7-8-12(20)10-13(11)18(15,4)5/h7-8,10,14-15,20H,9H2,1-6H3,(H,19,21)/t14-,15?/m0/s1
InChIKeyMEZUDMJFPSVEIJ-MLCCFXAWSA-N
MW321.42 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate

tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate (PubChem CID 66674647) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate
PubChem CID66674647
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO4/c1-17(2,3)23-16(21)19-15-14(22-6)9-11-7-8-12(20)10-13(11)18(15,4)5/h7-8,10,14-15,20H,9H2,1-6H3,(H,19,21)/t14-,15?/m0/s1
InChIKeyMEZUDMJFPSVEIJ-MLCCFXAWSA-N
XLogP3.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3S)-7-cyano-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 68757541
[8,8-diethyl-6-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydro-5H-naphthalen-2-yl] trifluoromethanesulfonate
CID 86631097
2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
CID 66674337
(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343364
(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905155
2-benzyl-3-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]propanoic acid
CID 66674723
tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130067133
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 20751625
tert-butyl N-[(1S,2R,3S,4S)-1,3-dimethyl-5-oxo-2-bicyclo[2.2.2]octanyl]carbamate
CID 129413213
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107682742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate (CID 66674647) is tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate is CO[C@H]1Cc2ccc(O)cc2C(C)(C)C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate?
The InChIKey is MEZUDMJFPSVEIJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H27NO4/c1-17(2,3)23-16(21)19-15-14(22-6)9-11-7-8-12(20)10-13(11)18(15,4)5/h7-8,10,14-15,20H,9H2,1-6H3,(H,19,21)/t14-,15?/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate?
tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate is sourced from PubChem (CID 66674647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).