(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one

C25H25NO2 — CID 24745568

IUPAC(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1
InChIKeyBIOLHGQBIOJSMW-CYSDGLOUSA-N
MW371.48 g/mol
LogP5.31
Rot. Bonds6

About (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one

(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one (PubChem CID 24745568) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
PubChem CID24745568
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1
InChIKeyBIOLHGQBIOJSMW-CYSDGLOUSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
CID 141015716
(1R,2R,4S,5S)-5-[benzyl-[(1S)-1-phenylethyl]amino]-4-(hydroxymethyl)cycloheptane-1,2-diol
CID 135033607
(3R,4S)-N,1-dibenzyl-4-methyl-N-[(1S)-1-phenylethyl]pyrrolidin-3-amine
CID 16725041
(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol
CID 16724918
cis-tert-butyl (1S,2R)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 10385071
trans-tert-butyl (1S,2S)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 140502070
tert-butyl (3R,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-3-carboxylate
CID 11164899
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410
ditert-butyl (3R,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-1,3-dicarboxylate
CID 11784922
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
tert-butyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-1-carboxylate
CID 16724784
methyl (1R,2R,5R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 10971596

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one (CID 24745568) is (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The InChIKey is BIOLHGQBIOJSMW-CYSDGLOUSA-N. The full InChI is InChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1.
What are the key properties of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one has a molecular weight of 371.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one is sourced from PubChem (CID 24745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).