N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide

C16H22N2O2 — CID 66265187

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-17-14-10-20-9-13(14)16(19)18(2)15-8-7-11-5-3-4-6-12(11)15/h3-6,13-15,17H,7-10H2,1-2H3
InChIKeyWKACYCVLJRAZLX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.37
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265187) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265187
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-17-14-10-20-9-13(14)16(19)18(2)15-8-7-11-5-3-4-6-12(11)15/h3-6,13-15,17H,7-10H2,1-2H3
InChIKeyWKACYCVLJRAZLX-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide (CID 66265187) is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is WKACYCVLJRAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-14-10-20-9-13(14)16(19)18(2)15-8-7-11-5-3-4-6-12(11)15/h3-6,13-15,17H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).