ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate

C14H19NO4 — CID 110399711

IUPACethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCCOC(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO4/c1-4-19-14(16)15-11-6-5-9-7-12(17-2)13(18-3)8-10(9)11/h7-8,11H,4-6H2,1-3H3,(H,15,16)
InChIKeyJNYSKBODHNBTGK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.44
Rot. Bonds4

About ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate

ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 110399711) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID110399711
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCCOC(=O)NC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO4/c1-4-19-14(16)15-11-6-5-9-7-12(17-2)13(18-3)8-10(9)11/h7-8,11H,4-6H2,1-3H3,(H,15,16)
InChIKeyJNYSKBODHNBTGK-UHFFFAOYSA-N
XLogP2.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 110399728
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110399695
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 125432396
ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118900132
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 125431572
ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 13406909

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate (CID 110399711) is ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate is CCOC(=O)NC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is JNYSKBODHNBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-14(16)15-11-6-5-9-7-12(17-2)13(18-3)8-10(9)11/h7-8,11H,4-6H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate?
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 110399711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).