[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

C17H22N2O2 — CID 11099345

IUPAC[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C1CCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3
InChIKeyUJHNPGCWWGEWLU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds4

About [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (PubChem CID 11099345) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
PubChem CID11099345
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C1CCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3
InChIKeyUJHNPGCWWGEWLU-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 [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (CID 11099345) is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is C#CCN(C)C1CCc2ccc(OC(=O)N(C)CC)cc21.
What is the InChIKey of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The InChIKey is UJHNPGCWWGEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-11-19(4)16-10-8-13-7-9-14(12-15(13)16)21-17(20)18(3)6-2/h1,7,9,12,16H,6,8,10-11H2,2-4H3.
What are the key properties of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-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 [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).