3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

C20H23NO3 — CID 110903509

IUPAC3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C20H23NO3/c1-2-24-18-10-6-4-7-14(18)11-12-19(23)21-20-16-9-5-3-8-15(16)13-17(20)22/h3-10,17,20,22H,2,11-13H2,1H3,(H,21,23)
InChIKeyAZORQHCYRHUFMF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds6

About 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 110903509) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID110903509
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C20H23NO3/c1-2-24-18-10-6-4-7-14(18)11-12-19(23)21-20-16-9-5-3-8-15(16)13-17(20)22/h3-10,17,20,22H,2,11-13H2,1H3,(H,21,23)
InChIKeyAZORQHCYRHUFMF-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 136512289
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
3-(1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696380
1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110908005
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 110903509) is 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is CCOc1ccccc1CCC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is AZORQHCYRHUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-24-18-10-6-4-7-14(18)11-12-19(23)21-20-16-9-5-3-8-15(16)13-17(20)22/h3-10,17,20,22H,2,11-13H2,1H3,(H,21,23).
What are the key properties of 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 110903509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).