N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

C15H18N2O4 — CID 61485568

IUPACN-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H18N2O4/c1-3-4-7-16-13(18)9-17-12-6-5-10(21-2)8-11(12)14(19)15(17)20/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyCYMPNAXECQYJRT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds6

About N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61485568) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
PubChem CID61485568
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H18N2O4/c1-3-4-7-16-13(18)9-17-12-6-5-10(21-2)8-11(12)14(19)15(17)20/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyCYMPNAXECQYJRT-UHFFFAOYSA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
5-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801743

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (CID 61485568) is N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is CCCCNC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21.
What is the InChIKey of N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is CYMPNAXECQYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-4-7-16-13(18)9-17-12-6-5-10(21-2)8-11(12)14(19)15(17)20/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61485568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).