N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide

C16H20N2O3 — CID 61485983

IUPACN-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O3/c1-5-16(3,4)17-13(19)9-18-12-7-6-10(2)8-11(12)14(20)15(18)21/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeyRMWFBHNHBGJWFD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.83
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide

N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61485983) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61485983
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O3/c1-5-16(3,4)17-13(19)9-18-12-7-6-10(2)8-11(12)14(20)15(18)21/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeyRMWFBHNHBGJWFD-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 61490183
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-methyl-2,3-dioxoindol-1-yl)methyl]azanium
CID 9281123
1-(2-cyclopropyl-2-oxoethyl)-5-methylindole-2,3-dione
CID 63914584
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
CID 61387641
methyl 2-ethyl-4-(5-methyl-2,3-dioxoindol-1-yl)but-2-enoate
CID 77100945
5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103071684
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8694377
1-[2-hydroxy-3-(propylamino)propyl]-5-methylindole-2,3-dione
CID 43343151
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 34718348
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 61486326
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide (CID 61485983) is N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide is CCC(C)(C)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is RMWFBHNHBGJWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-16(3,4)17-13(19)9-18-12-7-6-10(2)8-11(12)14(20)15(18)21/h6-8H,5,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61485983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).