4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one

C16H25N3O2 — CID 87454970

IUPAC4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one
SMILESCCCNC(Cc1ccc(O)c2c1CC(=O)N2)NCCC
InChIInChI=1S/C16H25N3O2/c1-3-7-17-14(18-8-4-2)9-11-5-6-13(20)16-12(11)10-15(21)19-16/h5-6,14,17-18,20H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyHIULWAYCTNGRRM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds8

About 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one

4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one (PubChem CID 87454970) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one
PubChem CID87454970
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one
SMILESCCCNC(Cc1ccc(O)c2c1CC(=O)N2)NCCC
InChIInChI=1S/C16H25N3O2/c1-3-7-17-14(18-8-4-2)9-11-5-6-13(20)16-12(11)10-15(21)19-16/h5-6,14,17-18,20H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyHIULWAYCTNGRRM-UHFFFAOYSA-N
XLogP1.75
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one 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 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one (CID 87454970) is 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one is CCCNC(Cc1ccc(O)c2c1CC(=O)N2)NCCC.
What is the InChIKey of 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is HIULWAYCTNGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-7-17-14(18-8-4-2)9-11-5-6-13(20)16-12(11)10-15(21)19-16/h5-6,14,17-18,20H,3-4,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one?
4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(propylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 87454970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).