methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate

C18H27NO6 — CID 140636855

IUPACmethoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate
SMILESCOCOC(=O)NC1(OCOC)c2ccccc2C(O)C1C(C)(C)C
InChIInChI=1S/C18H27NO6/c1-17(2,3)15-14(20)12-8-6-7-9-13(12)18(15,25-11-23-5)19-16(21)24-10-22-4/h6-9,14-15,20H,10-11H2,1-5H3,(H,19,21)
InChIKeyRNNJJBTXTSNQOJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.50
Rot. Bonds6

About methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate

methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate (PubChem CID 140636855) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate.

Molecular Properties

Compound Namemethoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate
PubChem CID140636855
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Namemethoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate
SMILESCOCOC(=O)NC1(OCOC)c2ccccc2C(O)C1C(C)(C)C
InChIInChI=1S/C18H27NO6/c1-17(2,3)15-14(20)12-8-6-7-9-13(12)18(15,25-11-23-5)19-16(21)24-10-22-4/h6-9,14-15,20H,10-11H2,1-5H3,(H,19,21)
InChIKeyRNNJJBTXTSNQOJ-UHFFFAOYSA-N
XLogP2.50
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate
CID 159643808
methyl (1S,2S)-1-hydroxy-3-methylidene-1,2-dihydroindene-2-carboxylate
CID 102419080
dimethyl 1-(1-iodo-2-methylpropan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate
CID 102062827
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
2,2,2-trichloroethyl N-(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 102401528
tert-butyl N-[1-(2-chlorophenyl)-2,3-dihydroxycyclopentyl]carbamate
CID 139573264
1-[3-(2,2-dimethylpropanoyl)-1,3-dihydroxy-1,2-dihydroinden-2-yl]-2,2-dimethylpropan-1-one
CID 142735908
methyl 4-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)butanoate
CID 59926308
tert-butyl N-[(3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamate
CID 146605293
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
CID 162316189
tert-butyl N-[(1R,5S)-1-(2-chlorophenyl)-5-hydroxy-2-oxocyclohex-3-en-1-yl]carbamate
CID 138977677

Frequently Asked Questions

What is the IUPAC name of methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate?
The IUPAC name of methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate (CID 140636855) is methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate.
What is the SMILES notation for methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate?
The canonical SMILES for methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate is COCOC(=O)NC1(OCOC)c2ccccc2C(O)C1C(C)(C)C.
What is the InChIKey of methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate?
The InChIKey is RNNJJBTXTSNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO6/c1-17(2,3)15-14(20)12-8-6-7-9-13(12)18(15,25-11-23-5)19-16(21)24-10-22-4/h6-9,14-15,20H,10-11H2,1-5H3,(H,19,21).
What are the key properties of methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate?
methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate is sourced from PubChem (CID 140636855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).