[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate

C18H26N2O2 — CID 24801868

IUPAC[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESCC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C18H26N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyZPAOVGZYDSXCPK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.75
Rot. Bonds6

About [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate

[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate (PubChem CID 24801868) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate.

Molecular Properties

Compound Name[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate
PubChem CID24801868
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESCC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C18H26N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21/h6-8,11-13,19H,9-10H2,1-5H3
InChIKeyZPAOVGZYDSXCPK-UHFFFAOYSA-N
XLogP3.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate?
The IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate (CID 24801868) is [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate.
What is the SMILES notation for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate?
The canonical SMILES for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate is CC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12.
What is the InChIKey of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate?
The InChIKey is ZPAOVGZYDSXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21/h6-8,11-13,19H,9-10H2,1-5H3.
What are the key properties of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate?
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate has a molecular weight of 302.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate is sourced from PubChem (CID 24801868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).