N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide

C17H23NO3 — CID 104982164

IUPACN-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C17H23NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyQCQJBGOTYRUOMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds6

About N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide

N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide (PubChem CID 104982164) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
PubChem CID104982164
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C17H23NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyQCQJBGOTYRUOMB-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
N-(ethylcarbamoyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 107684125
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-(3-methylbutyl)propanamide
CID 107682943
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide
CID 107684293
2-methyl-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107671321
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide (CID 104982164) is N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide is CC(C)CCNC(=O)C(C)Oc1ccc2c(c1)CCC2=O.
What is the InChIKey of N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide?
The InChIKey is QCQJBGOTYRUOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)8-9-18-17(20)12(3)21-14-5-6-15-13(10-14)4-7-16(15)19/h5-6,10-12H,4,7-9H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide?
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide is sourced from PubChem (CID 104982164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).