2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride

C21H24ClNO3 — CID 53398649

IUPAC2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
SMILESC#CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H
InChIKeyRSBGQTFIHFGTSY-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.11
Rot. Bonds8

About 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride

2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride (PubChem CID 53398649) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
PubChem CID53398649
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
SMILESC#CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H
InChIKeyRSBGQTFIHFGTSY-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride (CID 53398649) is 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride is C#CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride?
The InChIKey is RSBGQTFIHFGTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride?
2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride is sourced from PubChem (CID 53398649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).