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

C15H18N2O3 — CID 60630184

IUPAC2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-9(2)10(3)16-13(18)8-17-12-7-5-4-6-11(12)14(19)15(17)20/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyPXMIJVZGSJQCIC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds4

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

2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60630184) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID60630184
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-9(2)10(3)16-13(18)8-17-12-7-5-4-6-11(12)14(19)15(17)20/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyPXMIJVZGSJQCIC-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
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-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 28527238
[(1R)-1-cyanoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804446
2-(2,3-dioxoindol-1-yl)-N,N-diphenylacetamide
CID 4713777
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
1-(3-methoxy-2-oxopropyl)indole-2,3-dione
CID 107507634
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 3704400
2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 8023690

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 60630184) is 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PXMIJVZGSJQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)10(3)16-13(18)8-17-12-7-5-4-6-11(12)14(19)15(17)20/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60630184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).