N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide

C17H19NO3 — CID 109388625

IUPACN-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(21-16-9-5-8-15(10-16)12-19)17(20)18-11-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyJWYXSEIWRNZOEX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide

N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388625) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388625
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(21-16-9-5-8-15(10-16)12-19)17(20)18-11-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyJWYXSEIWRNZOEX-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388625) is N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is JWYXSEIWRNZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(21-16-9-5-8-15(10-16)12-19)17(20)18-11-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 285.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).