5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C25H26ClNO2 — CID 45265299

IUPAC5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C25H25NO2.ClH/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,23H,17-19H2,1H3;1H
InChIKeyNVDPZXQVZXHYNM-UHFFFAOYSA-N
MW407.94 g/mol
LogP4.84
Rot. Bonds6

About 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45265299) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45265299
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C25H25NO2.ClH/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,23H,17-19H2,1H3;1H
InChIKeyNVDPZXQVZXHYNM-UHFFFAOYSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenyl-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746800
Ethyl 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylate
CID 418389
1-(Piperidin-1-YL)propan-2-YL 2,2-diphenylpropanoate hydrochloride
CID 9551650
5-[[Methyl(propan-2-yl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 9996313
3,3-Diphenyl-5-(piperidin-1-ylmethyl)oxolan-2-one
CID 10042597
Trimethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]azanium iodide
CID 10071742
5-[[Methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 10249509
5-[[Ethyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 10335510
5-(Diethylaminomethyl)-3,3-diphenyloxolan-2-one;hydrochloride
CID 24183204
5-[(4-Methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
CID 45262208
5-[(Dimethylamino)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
CID 45262261
(1-Methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
CID 45267212

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45265299) is 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is NVDPZXQVZXHYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2.ClH/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,23H,17-19H2,1H3;1H.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45265299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).