propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate

C17H24N2O3 — CID 54429739

IUPACpropan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate
SMILESCC(C)OC(=O)n1ccc2cc(OCCCN(C)C)ccc21
InChIInChI=1S/C17H24N2O3/c1-13(2)22-17(20)19-10-8-14-12-15(6-7-16(14)19)21-11-5-9-18(3)4/h6-8,10,12-13H,5,9,11H2,1-4H3
InChIKeyWGLFDVLWIOXXLK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.36
Rot. Bonds6

About propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate

propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate (PubChem CID 54429739) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate
PubChem CID54429739
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate
SMILESCC(C)OC(=O)n1ccc2cc(OCCCN(C)C)ccc21
InChIInChI=1S/C17H24N2O3/c1-13(2)22-17(20)19-10-8-14-12-15(6-7-16(14)19)21-11-5-9-18(3)4/h6-8,10,12-13H,5,9,11H2,1-4H3
InChIKeyWGLFDVLWIOXXLK-UHFFFAOYSA-N
XLogP3.36
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate?
The IUPAC name of propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate (CID 54429739) is propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate.
What is the SMILES notation for propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate?
The canonical SMILES for propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate is CC(C)OC(=O)n1ccc2cc(OCCCN(C)C)ccc21.
What is the InChIKey of propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate?
The InChIKey is WGLFDVLWIOXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)22-17(20)19-10-8-14-12-15(6-7-16(14)19)21-11-5-9-18(3)4/h6-8,10,12-13H,5,9,11H2,1-4H3.
What are the key properties of propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate?
propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[3-(dimethylamino)propoxy]indole-1-carboxylate is sourced from PubChem (CID 54429739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).