[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate

C17H22N2O2 — CID 11727038

IUPAC[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C1CCc2c(OC(=O)N(C)CC)cccc21
InChIInChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3
InChIKeyAGATWFCSQRRDGY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds4

About [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate

[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate (PubChem CID 11727038) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
PubChem CID11727038
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C1CCc2c(OC(=O)N(C)CC)cccc21
InChIInChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3
InChIKeyAGATWFCSQRRDGY-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate (CID 11727038) is [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate is C#CCN(C)C1CCc2c(OC(=O)N(C)CC)cccc21.
What is the InChIKey of [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The InChIKey is AGATWFCSQRRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3.
What are the key properties of [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
[1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate has a molecular weight of 286.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11727038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).