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

C18H24N2O2 — CID 11759503

IUPAC[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate
SMILESC#CCN(C)C1CCc2ccc(OC(=O)N(C)CCC)cc21
InChIInChI=1S/C18H24N2O2/c1-5-11-19(3)17-10-8-14-7-9-15(13-16(14)17)22-18(21)20(4)12-6-2/h1,7,9,13,17H,6,8,10-12H2,2-4H3
InChIKeyDOCKMKZFEVDKQI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.08
Rot. Bonds5

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

[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate (PubChem CID 11759503) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate.

Molecular Properties

Compound Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate
PubChem CID11759503
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate
SMILESC#CCN(C)C1CCc2ccc(OC(=O)N(C)CCC)cc21
InChIInChI=1S/C18H24N2O2/c1-5-11-19(3)17-10-8-14-7-9-15(13-16(14)17)22-18(21)20(4)12-6-2/h1,7,9,13,17H,6,8,10-12H2,2-4H3
InChIKeyDOCKMKZFEVDKQI-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate?
The IUPAC name of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate (CID 11759503) is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate.
What is the SMILES notation for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate?
The canonical SMILES for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate is C#CCN(C)C1CCc2ccc(OC(=O)N(C)CCC)cc21.
What is the InChIKey of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate?
The InChIKey is DOCKMKZFEVDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-11-19(3)17-10-8-14-7-9-15(13-16(14)17)22-18(21)20(4)12-6-2/h1,7,9,13,17H,6,8,10-12H2,2-4H3.
What are the key properties of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate?
[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-yl] N-methyl-N-propylcarbamate has a molecular weight of 300.40 g/mol, XLogP of 3.08, 5 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-methyl-N-propylcarbamate is sourced from PubChem (CID 11759503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).