tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate

C18H27NO4 — CID 168830518

IUPACtert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate
SMILESCOc1ccc(OC)c2c1CCCC2CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(20)19-11-12-7-6-8-13-14(21-4)9-10-15(22-5)16(12)13/h9-10,12H,6-8,11H2,1-5H3,(H,19,20)
InChIKeySEQYNONLOHMAQX-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate

tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate (PubChem CID 168830518) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate
PubChem CID168830518
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate
SMILESCOc1ccc(OC)c2c1CCCC2CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO4/c1-18(2,3)23-17(20)19-11-12-7-6-8-13-14(21-4)9-10-15(22-5)16(12)13/h9-10,12H,6-8,11H2,1-5H3,(H,19,20)
InChIKeySEQYNONLOHMAQX-UHFFFAOYSA-N
XLogP3.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 59021765
3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine
CID 10469546
tert-butyl N-[[(1R)-6-(3-methoxyphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 59021793
chloromethyl 8-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 165440362
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
CID 46578833
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
CID 113242207
tert-butyl N-[(3-oxo-2-phenylcyclohexyl)methyl]carbamate
CID 112757460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate (CID 168830518) is tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate is COc1ccc(OC)c2c1CCCC2CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate?
The InChIKey is SEQYNONLOHMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-18(2,3)23-17(20)19-11-12-7-6-8-13-14(21-4)9-10-15(22-5)16(12)13/h9-10,12H,6-8,11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate?
tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate is sourced from PubChem (CID 168830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).