3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one

C17H18N2O2 — CID 43254825

IUPAC3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-11-3-8-15-14(9-11)16(18)17(20)19(15)10-12-4-6-13(21-2)7-5-12/h3-9,16H,10,18H2,1-2H3
InChIKeyJHPHZTGYLGXBPP-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.55
Rot. Bonds3

About 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one

3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one (PubChem CID 43254825) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
PubChem CID43254825
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-11-3-8-15-14(9-11)16(18)17(20)19(15)10-12-4-6-13(21-2)7-5-12/h3-9,16H,10,18H2,1-2H3
InChIKeyJHPHZTGYLGXBPP-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126475212
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
3-amino-1-[(E)-2-ethenylbut-2-enyl]-5-methyl-3H-indol-2-one
CID 76853938
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one (CID 43254825) is 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one is COc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)cc1.
What is the InChIKey of 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one?
The InChIKey is JHPHZTGYLGXBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-3-8-15-14(9-11)16(18)17(20)19(15)10-12-4-6-13(21-2)7-5-12/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one?
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one is sourced from PubChem (CID 43254825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).