2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

C18H28N2O3 — CID 109388906

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Oc1cccc(CO)c1)CN1CCCC1
InChIInChI=1S/C18H28N2O3/c1-14(12-20-8-3-4-9-20)11-19-18(22)15(2)23-17-7-5-6-16(10-17)13-21/h5-7,10,14-15,21H,3-4,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyBWVLIWLOLRLIDC-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.79
Rot. Bonds8

About 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 109388906) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID109388906
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Oc1cccc(CO)c1)CN1CCCC1
InChIInChI=1S/C18H28N2O3/c1-14(12-20-8-3-4-9-20)11-19-18(22)15(2)23-17-7-5-6-16(10-17)13-21/h5-7,10,14-15,21H,3-4,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyBWVLIWLOLRLIDC-UHFFFAOYSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 109388933
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
1-[(3-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111250538

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (CID 109388906) is 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)C(C)Oc1cccc(CO)c1)CN1CCCC1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is BWVLIWLOLRLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(12-20-8-3-4-9-20)11-19-18(22)15(2)23-17-7-5-6-16(10-17)13-21/h5-7,10,14-15,21H,3-4,8-9,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.79, 8 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-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 109388906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).