2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide

C17H26N2O2 — CID 107682943

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C17H26N2O2/c1-11(2)8-9-19-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)18/h5-6,10-12,16H,4,7-9,18H2,1-3H3,(H,19,20)
InChIKeyVIJBJLRDHRIITO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds6

About 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide (PubChem CID 107682943) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
PubChem CID107682943
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C17H26N2O2/c1-11(2)8-9-19-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)18/h5-6,10-12,16H,4,7-9,18H2,1-3H3,(H,19,20)
InChIKeyVIJBJLRDHRIITO-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107684659
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
CID 107683137
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide
CID 107683139
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide
CID 107683032
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164
N-(2-methoxyethyl)-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683568
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methoxypropyl)propanamide
CID 107684834
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide (CID 107682943) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The InChIKey is VIJBJLRDHRIITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)8-9-19-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)18/h5-6,10-12,16H,4,7-9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107682943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).