N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide

C18H22N2O3 — CID 70933166

IUPACN-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc3ccc(O)c(CO)c3c2)C1
InChIInChI=1S/C18H22N2O3/c1-12(22)19(2)15-7-8-20(10-15)14-5-3-13-4-6-18(23)17(11-21)16(13)9-14/h3-6,9,15,21,23H,7-8,10-11H2,1-2H3
InChIKeyFZOWHJQEFCVXGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds3

About N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide

N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 70933166) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID70933166
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc3ccc(O)c(CO)c3c2)C1
InChIInChI=1S/C18H22N2O3/c1-12(22)19(2)15-7-8-20(10-15)14-5-3-13-4-6-18(23)17(11-21)16(13)9-14/h3-6,9,15,21,23H,7-8,10-11H2,1-2H3
InChIKeyFZOWHJQEFCVXGO-UHFFFAOYSA-N
XLogP2.09
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide (CID 70933166) is N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2ccc3ccc(O)c(CO)c3c2)C1.
What is the InChIKey of N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is FZOWHJQEFCVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(22)19(2)15-7-8-20(10-15)14-5-3-13-4-6-18(23)17(11-21)16(13)9-14/h3-6,9,15,21,23H,7-8,10-11H2,1-2H3.
What are the key properties of N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide?
N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 314.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-hydroxy-8-(hydroxymethyl)naphthalen-2-yl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 70933166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).