2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide

C16H20N2O3 — CID 61357078

IUPAC2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc2c(c1C)N(CC(=O)N(C)C(C)C)C(=O)C2=O
InChIInChI=1S/C16H20N2O3/c1-9(2)17(5)13(19)8-18-14-11(4)10(3)6-7-12(14)15(20)16(18)21/h6-7,9H,8H2,1-5H3
InChIKeyHFCTUYCMWRBDML-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.70
Rot. Bonds3

About 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 61357078) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID61357078
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc2c(c1C)N(CC(=O)N(C)C(C)C)C(=O)C2=O
InChIInChI=1S/C16H20N2O3/c1-9(2)17(5)13(19)8-18-14-11(4)10(3)6-7-12(14)15(20)16(18)21/h6-7,9H,8H2,1-5H3
InChIKeyHFCTUYCMWRBDML-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-1-(4-methylpentyl)indole-2,3-dione
CID 83158333
3-(6,7-dimethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79629369
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246
6,7-dimethyl-1-prop-2-enylindole-2,3-dione
CID 61355575
1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
CID 61356574
1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
CID 61355078
1-(3-chloropropyl)-6,7-dimethylindole-2,3-dione
CID 20502556
6,7-dimethyl-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 61356078
1-(4-methoxybutyl)-6,7-dimethylindole-2,3-dione
CID 104647971
6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione
CID 61484634
N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
CID 106893814
4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
CID 63580211

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 61357078) is 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide is Cc1ccc2c(c1C)N(CC(=O)N(C)C(C)C)C(=O)C2=O.
What is the InChIKey of 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is HFCTUYCMWRBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)17(5)13(19)8-18-14-11(4)10(3)6-7-12(14)15(20)16(18)21/h6-7,9H,8H2,1-5H3.
What are the key properties of 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-2,3-dioxoindol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61357078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).