2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide

C20H19NO3 — CID 109388816

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c1-14(24-17-9-4-6-15(12-17)13-22)20(23)21-19-11-5-8-16-7-2-3-10-18(16)19/h2-12,14,22H,13H2,1H3,(H,21,23)
InChIKeyDTOSSFSRBZYHGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.74
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide

2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide (PubChem CID 109388816) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
PubChem CID109388816
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c1-14(24-17-9-4-6-15(12-17)13-22)20(23)21-19-11-5-8-16-7-2-3-10-18(16)19/h2-12,14,22H,13H2,1H3,(H,21,23)
InChIKeyDTOSSFSRBZYHGA-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700737
(2R)-2-(2-chloro-4-fluorophenoxy)-N-naphthalen-1-ylpropanamide
CID 2537239

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide (CID 109388816) is 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide is CC(Oc1cccc(CO)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide?
The InChIKey is DTOSSFSRBZYHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14(24-17-9-4-6-15(12-17)13-22)20(23)21-19-11-5-8-16-7-2-3-10-18(16)19/h2-12,14,22H,13H2,1H3,(H,21,23).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide?
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide has a molecular weight of 321.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 109388816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).