N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide

C19H21NO3 — CID 109388825

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(23-16-7-4-5-14(11-16)12-21)19(22)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,11,13,18,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyVBWHYYKBSJKLSD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.75
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388825) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388825
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(23-16-7-4-5-14(11-16)12-21)19(22)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,11,13,18,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyVBWHYYKBSJKLSD-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398270
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813
N-cyclopropyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683434
(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7290743
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-(2,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43907918

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388825) is N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is VBWHYYKBSJKLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(23-16-7-4-5-14(11-16)12-21)19(22)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,11,13,18,21H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 311.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).