(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one

C24H24N2O3 — CID 98176206

IUPAC(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C24H24N2O3/c1-25(16-17-13-14-21(28-2)22(15-17)29-3)26-20-12-8-7-11-19(20)23(24(26)27)18-9-5-4-6-10-18/h4-15,23H,16H2,1-3H3/t23-/m0/s1
InChIKeyARSAIYOABICXIW-QHCPKHFHSA-N
MW388.47 g/mol
LogP4.23
Rot. Bonds6

About (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one

(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (PubChem CID 98176206) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
PubChem CID98176206
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C24H24N2O3/c1-25(16-17-13-14-21(28-2)22(15-17)29-3)26-20-12-8-7-11-19(20)23(24(26)27)18-9-5-4-6-10-18/h4-15,23H,16H2,1-3H3/t23-/m0/s1
InChIKeyARSAIYOABICXIW-QHCPKHFHSA-N
XLogP4.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065900
1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065927
2-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]butoxy]phenyl]-4-phenyl-4H-1,2-benzothiazin-3-one;hydrochloride
CID 23317460
1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 3456540
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-(2-oxo-3-phenyl-3H-indol-1-yl)-N-phenylacetamide
CID 13316077
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18111690
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 41009071
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The IUPAC name of (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (CID 98176206) is (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.
What is the SMILES notation for (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The canonical SMILES for (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is COc1ccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)cc1OC.
What is the InChIKey of (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The InChIKey is ARSAIYOABICXIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-25(16-17-13-14-21(28-2)22(15-17)29-3)26-20-12-8-7-11-19(20)23(24(26)27)18-9-5-4-6-10-18/h4-15,23H,16H2,1-3H3/t23-/m0/s1.
What are the key properties of (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one has a molecular weight of 388.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 98176206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).