N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide

C20H23NO2 — CID 8933646

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H23NO2/c1-14-6-7-15(2)19(12-14)23-11-10-20(22)21-18-9-8-16-4-3-5-17(16)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyWEFPQYHOSMIODH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.20
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 8933646) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID8933646
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H23NO2/c1-14-6-7-15(2)19(12-14)23-11-10-20(22)21-18-9-8-16-4-3-5-17(16)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyWEFPQYHOSMIODH-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide (CID 8933646) is N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is WEFPQYHOSMIODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-6-7-15(2)19(12-14)23-11-10-20(22)21-18-9-8-16-4-3-5-17(16)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 309.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 8933646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).