[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C25H24FNO4 — CID 8579176

IUPAC[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24FNO4/c1-2-27(17-19-10-9-15-22(26)16-19)23(28)18-31-24(29)25(30,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,30H,2,17-18H2,1H3
InChIKeyZPCMFLHYRRZYHQ-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.65
Rot. Bonds8

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 8579176) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID8579176
Molecular FormulaC25H24FNO4
Molecular Weight421.47 g/mol
Exact Mass421.17
IUPAC Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24FNO4/c1-2-27(17-19-10-9-15-22(26)16-19)23(28)18-31-24(29)25(30,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,30H,2,17-18H2,1H3
InChIKeyZPCMFLHYRRZYHQ-UHFFFAOYSA-N
XLogP3.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mepenzolate
CID 4057
Pipenzolate
CID 4832
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester
CID 62495
1-Ethyl-3-piperidinyl alpha-hydroxy-alpha-phenylbenzeneacetate
CID 62504
2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
CID 20674
Pipethanate Ethobromide
CID 168088
Bevonium
CID 31800
(1-Benzyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate
CID 298395
(R)-Mepenzolate
CID 688520
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
CID 23724801
[1-[(4-Fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 15636671
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 16285319

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 8579176) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ZPCMFLHYRRZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-2-27(17-19-10-9-15-22(26)16-19)23(28)18-31-24(29)25(30,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,30H,2,17-18H2,1H3.
What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 421.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 8579176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).