N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide

C15H22N2O2 — CID 107683326

IUPACN-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
SMILESCNC(=O)CCCOc1ccc2c(c1)CCC2NC
InChIInChI=1S/C15H22N2O2/c1-16-14-8-5-11-10-12(6-7-13(11)14)19-9-3-4-15(18)17-2/h6-7,10,14,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyJWQPLYROCRWIMY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds6

About N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide

N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide (PubChem CID 107683326) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide.

Molecular Properties

Compound NameN-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
PubChem CID107683326
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
SMILESCNC(=O)CCCOc1ccc2c(c1)CCC2NC
InChIInChI=1S/C15H22N2O2/c1-16-14-8-5-11-10-12(6-7-13(11)14)19-9-3-4-15(18)17-2/h6-7,10,14,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyJWQPLYROCRWIMY-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide with MolForge

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Related Compounds

5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide?
The IUPAC name of N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide (CID 107683326) is N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide.
What is the SMILES notation for N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide?
The canonical SMILES for N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide is CNC(=O)CCCOc1ccc2c(c1)CCC2NC.
What is the InChIKey of N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide?
The InChIKey is JWQPLYROCRWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-14-8-5-11-10-12(6-7-13(11)14)19-9-3-4-15(18)17-2/h6-7,10,14,16H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide?
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide is sourced from PubChem (CID 107683326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).