2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride

C23H33ClN2O4 — CID 21488915

IUPAC2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
SMILESCCOCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O.Cl
InChIInChI=1S/C23H32N2O4.ClH/c1-3-28-13-14-29-22-12-11-19(15-20(22)23(24)27)21(26)16-25-17(2)9-10-18-7-5-4-6-8-18;/h4-8,11-12,15,17,21,25-26H,3,9-10,13-14,16H2,1-2H3,(H2,24,27);1H
InChIKeyVIISEMLEEODZGG-UHFFFAOYSA-N
MW436.98 g/mol
LogP3.27
Rot. Bonds13

About 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride

2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride (PubChem CID 21488915) has the molecular formula C23H33ClN2O4 and a molecular weight of 436.98 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
PubChem CID21488915
Molecular FormulaC23H33ClN2O4
Molecular Weight436.98 g/mol
Exact Mass436.21
IUPAC Name2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
SMILESCCOCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O.Cl
InChIInChI=1S/C23H32N2O4.ClH/c1-3-28-13-14-29-22-12-11-19(15-20(22)23(24)27)21(26)16-25-17(2)9-10-18-7-5-4-6-8-18;/h4-8,11-12,15,17,21,25-26H,3,9-10,13-14,16H2,1-2H3,(H2,24,27);1H
InChIKeyVIISEMLEEODZGG-UHFFFAOYSA-N
XLogP3.27
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 53.27
H-Bond Donors ≤ 53
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 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride (CID 21488915) is 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride is CCOCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O.Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride?
The InChIKey is VIISEMLEEODZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4.ClH/c1-3-28-13-14-29-22-12-11-19(15-20(22)23(24)27)21(26)16-25-17(2)9-10-18-7-5-4-6-8-18;/h4-8,11-12,15,17,21,25-26H,3,9-10,13-14,16H2,1-2H3,(H2,24,27);1H.
What are the key properties of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride?
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride has a molecular weight of 436.98 g/mol, XLogP of 3.27, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 21488915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).