N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride

C22H28ClN3O3 — CID 54724113

IUPACN-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCCN(CC)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-3-24(4-2)15-17(26)14-23-22(28)20-21(27)18-12-8-9-13-19(18)25(20)16-10-6-5-7-11-16;/h5-13,17,26-27H,3-4,14-15H2,1-2H3,(H,23,28);1H
InChIKeyJZASIMZSFMKJJP-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.19
Rot. Bonds8

About N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride

N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (PubChem CID 54724113) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
PubChem CID54724113
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCCN(CC)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-3-24(4-2)15-17(26)14-23-22(28)20-21(27)18-12-8-9-13-19(18)25(20)16-10-6-5-7-11-16;/h5-13,17,26-27H,3-4,14-15H2,1-2H3,(H,23,28);1H
InChIKeyJZASIMZSFMKJJP-UHFFFAOYSA-N
XLogP3.19
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride 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 N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (CID 54724113) is N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is CCN(CC)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl.
What is the InChIKey of N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The InChIKey is JZASIMZSFMKJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-3-24(4-2)15-17(26)14-23-22(28)20-21(27)18-12-8-9-13-19(18)25(20)16-10-6-5-7-11-16;/h5-13,17,26-27H,3-4,14-15H2,1-2H3,(H,23,28);1H.
What are the key properties of N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 54724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).