2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide

C16H20N2O3 — CID 61355309

IUPAC2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)NCC(C)C
InChIInChI=1S/C16H20N2O3/c1-9(2)7-17-12(19)8-18-14-11(4)6-5-10(3)13(14)15(20)16(18)21/h5-6,9H,7-8H2,1-4H3,(H,17,19)
InChIKeyCGNSHUDCXYNFTP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.60
Rot. Bonds4

About 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide

2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 61355309) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID61355309
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)NCC(C)C
InChIInChI=1S/C16H20N2O3/c1-9(2)7-17-12(19)8-18-14-11(4)6-5-10(3)13(14)15(20)16(18)21/h5-6,9H,7-8H2,1-4H3,(H,17,19)
InChIKeyCGNSHUDCXYNFTP-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61357112
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61487044
3-(4,7-dimethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79630344
1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
CID 104751336
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
CID 62628305
N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
CID 63926258
N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 83206441

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide (CID 61355309) is 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide is Cc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)NCC(C)C.
What is the InChIKey of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is CGNSHUDCXYNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)7-17-12(19)8-18-14-11(4)6-5-10(3)13(14)15(20)16(18)21/h5-6,9H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 61355309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).