2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C17H20N2O3 — CID 109388909

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2cccc(CO)c2)n1
InChIInChI=1S/C17H20N2O3/c1-12-5-3-7-15(19-12)10-18-17(21)13(2)22-16-8-4-6-14(9-16)11-20/h3-9,13,20H,10-11H2,1-2H3,(H,18,21)
InChIKeyVPYVXNKAQNKKJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.97
Rot. Bonds6

About 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 109388909) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID109388909
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2cccc(CO)c2)n1
InChIInChI=1S/C17H20N2O3/c1-12-5-3-7-15(19-12)10-18-17(21)13(2)22-16-8-4-6-14(9-16)11-20/h3-9,13,20H,10-11H2,1-2H3,(H,18,21)
InChIKeyVPYVXNKAQNKKJM-UHFFFAOYSA-N
XLogP1.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388958
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 109388909) is 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is Cc1cccc(CNC(=O)C(C)Oc2cccc(CO)c2)n1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is VPYVXNKAQNKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-5-3-7-15(19-12)10-18-17(21)13(2)22-16-8-4-6-14(9-16)11-20/h3-9,13,20H,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 109388909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).