N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C18H16N2O4 — CID 10592051

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)
InChIKeyKOTFZRCPKVQWPP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.38
Rot. Bonds5

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10592051) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10592051
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)
InChIKeyKOTFZRCPKVQWPP-UHFFFAOYSA-N
XLogP2.38
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10592051) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is KOTFZRCPKVQWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 324.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10592051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).