3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

C23H32ClNO3 — CID 2830874

IUPAC3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO3.ClH/c1-4-24(5-2)18-13-19-26-22(25)23(27-6-3,20-14-9-7-10-15-20)21-16-11-8-12-17-21;/h7-12,14-17H,4-6,13,18-19H2,1-3H3;1H
InChIKeyZEHHJPRMSKWOGK-UHFFFAOYSA-N
MW405.97 g/mol
LogP4.66
Rot. Bonds11

About 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 2830874) has the molecular formula C23H32ClNO3 and a molecular weight of 405.97 g/mol. Its IUPAC name is 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID2830874
Molecular FormulaC23H32ClNO3
Molecular Weight405.97 g/mol
Exact Mass405.21
IUPAC Name3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO3.ClH/c1-4-24(5-2)18-13-19-26-22(25)23(27-6-3,20-14-9-7-10-15-20)21-16-11-8-12-17-21;/h7-12,14-17H,4-6,13,18-19H2,1-3H3;1H
InChIKeyZEHHJPRMSKWOGK-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 54.66
H-Bond Donors ≤ 50
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 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 2830874) is 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is ZEHHJPRMSKWOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3.ClH/c1-4-24(5-2)18-13-19-26-22(25)23(27-6-3,20-14-9-7-10-15-20)21-16-11-8-12-17-21;/h7-12,14-17H,4-6,13,18-19H2,1-3H3;1H.
What are the key properties of 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 2830874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).