6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione

C14H18N2O4 — CID 81309564

IUPAC6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione
SMILESCOCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C14H18N2O4/c1-15(7-10(17)8-20-3)9-4-5-11-12(6-9)16(2)14(19)13(11)18/h4-6,10,17H,7-8H2,1-3H3
InChIKeyOUWMKQOTAZQYCJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.29
Rot. Bonds5

About 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione

6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione (PubChem CID 81309564) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione
PubChem CID81309564
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione
SMILESCOCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C14H18N2O4/c1-15(7-10(17)8-20-3)9-4-5-11-12(6-9)16(2)14(19)13(11)18/h4-6,10,17H,7-8H2,1-3H3
InChIKeyOUWMKQOTAZQYCJ-UHFFFAOYSA-N
XLogP0.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methyl-3H-indol-2-one
CID 81308552
6-[2-methoxyethyl(2-methylpropyl)amino]-1-methylindole-2,3-dione
CID 81300463
6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
CID 81309567
6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
CID 81309496
6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
CID 81309495
1-(4-ethylsulfonyl-N-methylanilino)-3-methoxypropan-2-ol
CID 54999146
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzoic acid
CID 113400011
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
CID 81308900
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzenecarbothioamide
CID 62948804
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione (CID 81309564) is 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione is COCC(O)CN(C)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione?
The InChIKey is OUWMKQOTAZQYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15(7-10(17)8-20-3)9-4-5-11-12(6-9)16(2)14(19)13(11)18/h4-6,10,17H,7-8H2,1-3H3.
What are the key properties of 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione?
6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione has a molecular weight of 278.31 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81309564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).