N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

C19H18N2O3 — CID 91971412

IUPACN-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCC(=O)N(c1cc(O)ccc1C)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3
InChIKeyNXETYAFZIDRMKK-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.00
Rot. Bonds2

About N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide

N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide (PubChem CID 91971412) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
PubChem CID91971412
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCC(=O)N(c1cc(O)ccc1C)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3
InChIKeyNXETYAFZIDRMKK-UHFFFAOYSA-N
XLogP4.00
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide?
The IUPAC name of N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide (CID 91971412) is N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide?
The canonical SMILES for N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide is CC(=O)N(c1cc(O)ccc1C)c1cn(C(C)=O)c2ccccc12.
What is the InChIKey of N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide?
The InChIKey is NXETYAFZIDRMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3.
What are the key properties of N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide?
N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide is sourced from PubChem (CID 91971412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).