(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one

C23H22N2O — CID 98176184

IUPAC(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one
SMILESCc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-17-10-6-7-13-19(17)16-24(2)25-21-15-9-8-14-20(21)22(23(25)26)18-11-4-3-5-12-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyCJYCKCJTJSRCGU-QFIPXVFZSA-N
MW342.44 g/mol
LogP4.52
Rot. Bonds4

About (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one

(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one (PubChem CID 98176184) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one
PubChem CID98176184
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one
SMILESCc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-17-10-6-7-13-19(17)16-24(2)25-21-15-9-8-14-20(21)22(23(25)26)18-11-4-3-5-12-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyCJYCKCJTJSRCGU-QFIPXVFZSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one?
The IUPAC name of (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one (CID 98176184) is (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one.
What is the SMILES notation for (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one?
The canonical SMILES for (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one is Cc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one?
The InChIKey is CJYCKCJTJSRCGU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-10-6-7-13-19(17)16-24(2)25-21-15-9-8-14-20(21)22(23(25)26)18-11-4-3-5-12-18/h3-15,22H,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one?
(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one has a molecular weight of 342.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 98176184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).