[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate

C20H20N2O4 — CID 71415857

IUPAC[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)c1ccc(N(C(C)=O)C(C)=O)c(C)c1n2C
InChIInChI=1S/C20H20N2O4/c1-11-18(22(12(2)23)13(3)24)9-7-16-17-10-15(26-14(4)25)6-8-19(17)21(5)20(11)16/h6-10H,1-5H3
InChIKeyJIAJFXMKZHEFJZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.46
Rot. Bonds2

About [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate

[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate (PubChem CID 71415857) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate.

Molecular Properties

Compound Name[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate
PubChem CID71415857
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)c1ccc(N(C(C)=O)C(C)=O)c(C)c1n2C
InChIInChI=1S/C20H20N2O4/c1-11-18(22(12(2)23)13(3)24)9-7-16-17-10-15(26-14(4)25)6-8-19(17)21(5)20(11)16/h6-10H,1-5H3
InChIKeyJIAJFXMKZHEFJZ-UHFFFAOYSA-N
XLogP3.46
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate?
The IUPAC name of [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate (CID 71415857) is [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate.
What is the SMILES notation for [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate?
The canonical SMILES for [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate is CC(=O)Oc1ccc2c(c1)c1ccc(N(C(C)=O)C(C)=O)c(C)c1n2C.
What is the InChIKey of [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate?
The InChIKey is JIAJFXMKZHEFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-11-18(22(12(2)23)13(3)24)9-7-16-17-10-15(26-14(4)25)6-8-19(17)21(5)20(11)16/h6-10H,1-5H3.
What are the key properties of [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate?
[7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate has a molecular weight of 352.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diacetylamino)-8,9-dimethylcarbazol-3-yl] acetate is sourced from PubChem (CID 71415857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).