3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one

C14H21N3O3 — CID 81308552

IUPAC3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one
SMILESCOCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2N
InChIInChI=1S/C14H21N3O3/c1-16(7-10(18)8-20-3)9-4-5-11-12(6-9)17(2)14(19)13(11)15/h4-6,10,13,18H,7-8,15H2,1-3H3
InChIKeyREKOUTNKEVWQIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.11
Rot. Bonds5

About 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one

3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one (PubChem CID 81308552) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one
PubChem CID81308552
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one
SMILESCOCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2N
InChIInChI=1S/C14H21N3O3/c1-16(7-10(18)8-20-3)9-4-5-11-12(6-9)17(2)14(19)13(11)15/h4-6,10,13,18H,7-8,15H2,1-3H3
InChIKeyREKOUTNKEVWQIN-UHFFFAOYSA-N
XLogP0.11
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one (CID 81308552) is 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one is COCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2N.
What is the InChIKey of 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one?
The InChIKey is REKOUTNKEVWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(7-10(18)8-20-3)9-4-5-11-12(6-9)17(2)14(19)13(11)15/h4-6,10,13,18H,7-8,15H2,1-3H3.
What are the key properties of 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one?
3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81308552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).