N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C18H18N2O3 — CID 110910870

IUPACN-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cccc(CO)c3)c2c1
InChIInChI=1S/C18H18N2O3/c1-23-15-5-6-17-16(9-15)13(10-19-17)8-18(22)20-14-4-2-3-12(7-14)11-21/h2-7,9-10,19,21H,8,11H2,1H3,(H,20,22)
InChIKeyPPUUPNWFEHXSDG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.85
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110910870) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID110910870
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cccc(CO)c3)c2c1
InChIInChI=1S/C18H18N2O3/c1-23-15-5-6-17-16(9-15)13(10-19-17)8-18(22)20-14-4-2-3-12(7-14)11-21/h2-7,9-10,19,21H,8,11H2,1H3,(H,20,22)
InChIKeyPPUUPNWFEHXSDG-UHFFFAOYSA-N
XLogP2.85
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 111393023
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 78873771
2-(5-methoxy-1H-indol-3-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 136576879
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
CID 78890740

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 110910870) is N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)Nc3cccc(CO)c3)c2c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is PPUUPNWFEHXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-15-5-6-17-16(9-15)13(10-19-17)8-18(22)20-14-4-2-3-12(7-14)11-21/h2-7,9-10,19,21H,8,11H2,1H3,(H,20,22).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110910870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).