2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

C18H18N2O2 — CID 170858004

IUPAC2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
SMILESCc1ccc(-n2c(C)c(C(=O)CN)c3cc(O)ccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-11-3-5-13(6-4-11)20-12(2)18(17(22)10-19)15-9-14(21)7-8-16(15)20/h3-9,21H,10,19H2,1-2H3
InChIKeyQCFWLOUSUYHZHG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.09
Rot. Bonds3

About 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (PubChem CID 170858004) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
PubChem CID170858004
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
SMILESCc1ccc(-n2c(C)c(C(=O)CN)c3cc(O)ccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-11-3-5-13(6-4-11)20-12(2)18(17(22)10-19)15-9-14(21)7-8-16(15)20/h3-9,21H,10,19H2,1-2H3
InChIKeyQCFWLOUSUYHZHG-UHFFFAOYSA-N
XLogP3.09
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The IUPAC name of 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (CID 170858004) is 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is Cc1ccc(-n2c(C)c(C(=O)CN)c3cc(O)ccc32)cc1.
What is the InChIKey of 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The InChIKey is QCFWLOUSUYHZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-3-5-13(6-4-11)20-12(2)18(17(22)10-19)15-9-14(21)7-8-16(15)20/h3-9,21H,10,19H2,1-2H3.
What are the key properties of 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 170858004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).