2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide

C16H24N2O2 — CID 63091735

IUPAC2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide
SMILESCCNC1CCc2c(OC(C)C(=O)N(C)C)cccc21
InChIInChI=1S/C16H24N2O2/c1-5-17-14-10-9-13-12(14)7-6-8-15(13)20-11(2)16(19)18(3)4/h6-8,11,14,17H,5,9-10H2,1-4H3
InChIKeyVEEQHKTWCKDSLL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds5

About 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide

2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide (PubChem CID 63091735) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide
PubChem CID63091735
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide
SMILESCCNC1CCc2c(OC(C)C(=O)N(C)C)cccc21
InChIInChI=1S/C16H24N2O2/c1-5-17-14-10-9-13-12(14)7-6-8-15(13)20-11(2)16(19)18(3)4/h6-8,11,14,17H,5,9-10H2,1-4H3
InChIKeyVEEQHKTWCKDSLL-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide (CID 63091735) is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide is CCNC1CCc2c(OC(C)C(=O)N(C)C)cccc21.
What is the InChIKey of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide?
The InChIKey is VEEQHKTWCKDSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-17-14-10-9-13-12(14)7-6-8-15(13)20-11(2)16(19)18(3)4/h6-8,11,14,17H,5,9-10H2,1-4H3.
What are the key properties of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide?
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).