tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C18H27NO4 — CID 18646598

IUPACtert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)O[C@@H]1c2ccccc2C[C@@H](NC(=O)OC(C)(C)C)[C@H]1O
InChIInChI=1S/C18H27NO4/c1-11(2)22-16-13-9-7-6-8-12(13)10-14(15(16)20)19-17(21)23-18(3,4)5/h6-9,11,14-16,20H,10H2,1-5H3,(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyGHSHUIROXDUBPG-BZUAXINKSA-N
MW321.42 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 18646598) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID18646598
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)O[C@@H]1c2ccccc2C[C@@H](NC(=O)OC(C)(C)C)[C@H]1O
InChIInChI=1S/C18H27NO4/c1-11(2)22-16-13-9-7-6-8-12(13)10-14(15(16)20)19-17(21)23-18(3,4)5/h6-9,11,14-16,20H,10H2,1-5H3,(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyGHSHUIROXDUBPG-BZUAXINKSA-N
XLogP2.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
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tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
tert-butyl N-[(1S,2R)-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 67647320
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
methyl acetate;methyl 3-cyclopropyl-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-1-yl]propanoate
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tert-butyl N-[(2S)-2-[2-(4-fluoro-2-methoxyphenyl)propanoylamino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292809
tert-butyl N-[(2S)-1-[(1-carbamoyl-2,3-dihydro-1H-inden-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10620381
tert-butyl N-[(1R)-1-(3-hydroxypropylsulfanylmethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 142999076
tert-butyl N-[(1S,2S)-2-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
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tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 18646598) is tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is CC(C)O[C@@H]1c2ccccc2C[C@@H](NC(=O)OC(C)(C)C)[C@H]1O.
What is the InChIKey of tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is GHSHUIROXDUBPG-BZUAXINKSA-N. The full InChI is InChI=1S/C18H27NO4/c1-11(2)22-16-13-9-7-6-8-12(13)10-14(15(16)20)19-17(21)23-18(3,4)5/h6-9,11,14-16,20H,10H2,1-5H3,(H,19,21)/t14-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 18646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).