N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide

C23H25NO3 — CID 12985494

IUPACN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12
InChIInChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)
InChIKeyXUNUQRPRCURIQA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.08
Rot. Bonds7

About N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide

N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide (PubChem CID 12985494) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide
PubChem CID12985494
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12
InChIInChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)
InChIKeyXUNUQRPRCURIQA-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide 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-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide (CID 12985494) is N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide is CCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12.
What is the InChIKey of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide?
The InChIKey is XUNUQRPRCURIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide?
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]propanamide is sourced from PubChem (CID 12985494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).