N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide

C16H20N2O3 — CID 61355443

IUPACN-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C16H20N2O3/c1-5-11(4)17-13(19)8-18-12-7-9(2)6-10(3)14(12)15(20)16(18)21/h6-7,11H,5,8H2,1-4H3,(H,17,19)
InChIKeyVBNQOAJAXMDPDU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds4

About N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide

N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61355443) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61355443
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C16H20N2O3/c1-5-11(4)17-13(19)8-18-12-7-9(2)6-10(3)14(12)15(20)16(18)21/h6-7,11H,5,8H2,1-4H3,(H,17,19)
InChIKeyVBNQOAJAXMDPDU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide (CID 61355443) is N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide is CCC(C)NC(=O)CN1C(=O)C(=O)c2c(C)cc(C)cc21.
What is the InChIKey of N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is VBNQOAJAXMDPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-11(4)17-13(19)8-18-12-7-9(2)6-10(3)14(12)15(20)16(18)21/h6-7,11H,5,8H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide?
N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61355443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).