propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate

C20H30N2O3 — CID 139566726

IUPACpropyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate
SMILESCCCOC(=O)N1C(=O)Cc2c(CCN(CCC)CCC)cccc21
InChIInChI=1S/C20H30N2O3/c1-4-11-21(12-5-2)13-10-16-8-7-9-18-17(16)15-19(23)22(18)20(24)25-14-6-3/h7-9H,4-6,10-15H2,1-3H3
InChIKeyKNPSWJYIWKIDOR-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.79
Rot. Bonds9

About propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate

propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate (PubChem CID 139566726) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate
PubChem CID139566726
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namepropyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate
SMILESCCCOC(=O)N1C(=O)Cc2c(CCN(CCC)CCC)cccc21
InChIInChI=1S/C20H30N2O3/c1-4-11-21(12-5-2)13-10-16-8-7-9-18-17(16)15-19(23)22(18)20(24)25-14-6-3/h7-9H,4-6,10-15H2,1-3H3
InChIKeyKNPSWJYIWKIDOR-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate?
The IUPAC name of propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate (CID 139566726) is propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate.
What is the SMILES notation for propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate?
The canonical SMILES for propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate is CCCOC(=O)N1C(=O)Cc2c(CCN(CCC)CCC)cccc21.
What is the InChIKey of propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate?
The InChIKey is KNPSWJYIWKIDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-11-21(12-5-2)13-10-16-8-7-9-18-17(16)15-19(23)22(18)20(24)25-14-6-3/h7-9H,4-6,10-15H2,1-3H3.
What are the key properties of propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate?
propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-(dipropylamino)ethyl]-2-oxo-3H-indole-1-carboxylate is sourced from PubChem (CID 139566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).