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

C22H28ClN3O2 — CID 54724109

IUPACN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17;/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27);1H
InChIKeyRZGBRXSSUNDHAW-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.22
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (PubChem CID 54724109) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
PubChem CID54724109
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17;/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27);1H
InChIKeyRZGBRXSSUNDHAW-UHFFFAOYSA-N
XLogP4.22
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (CID 54724109) is N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The InChIKey is RZGBRXSSUNDHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17;/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27);1H.
What are the key properties of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 54724109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).