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

C17H25NO3 — CID 107684659

IUPAC2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2O
InChIInChI=1S/C17H25NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12,16,19H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyAWMAIJVRDHBWLA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.60
Rot. Bonds6

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

2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide (PubChem CID 107684659) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
PubChem CID107684659
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2O
InChIInChI=1S/C17H25NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12,16,19H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyAWMAIJVRDHBWLA-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107682943
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methoxypropyl)propanamide
CID 107684834
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-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
CID 107683137
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide (CID 107684659) is 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2O.
What is the InChIKey of 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
The InChIKey is AWMAIJVRDHBWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12,16,19H,4,7-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide?
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107684659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).