5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one

C17H18N2O2 — CID 43484817

IUPAC5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cccc(OC)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O2/c1-18-17(11-4-3-5-14(9-11)21-2)12-6-7-15-13(8-12)10-16(20)19-15/h3-9,17-18H,10H2,1-2H3,(H,19,20)
InChIKeyOHEMOQREHIROKI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.50
Rot. Bonds4

About 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one

5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 43484817) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID43484817
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cccc(OC)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O2/c1-18-17(11-4-3-5-14(9-11)21-2)12-6-7-15-13(8-12)10-16(20)19-15/h3-9,17-18H,10H2,1-2H3,(H,19,20)
InChIKeyOHEMOQREHIROKI-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483923
5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 65237224
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
CID 43491531
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486103
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one (CID 43484817) is 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one is CNC(c1cccc(OC)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is OHEMOQREHIROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18-17(11-4-3-5-14(9-11)21-2)12-6-7-15-13(8-12)10-16(20)19-15/h3-9,17-18H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).