(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one

C25H25NO3 — CID 23629604

IUPAC(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C25H25NO3/c27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyJOLCWRHFYLSCBY-ZEQRLZLVSA-N
MW387.48 g/mol
LogP4.84
Rot. Bonds8

About (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one

(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one (PubChem CID 23629604) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
PubChem CID23629604
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C25H25NO3/c27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyJOLCWRHFYLSCBY-ZEQRLZLVSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one with MolForge

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
1-Benzyl-4-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027495
(2S)-1-benzyl-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
CID 44275981
N,N-dibenzyl-3(S)-amino-1,2(S)-epoxy-4-phenylbutane
CID 9798180
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 11046158
1-Benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
CID 139612235
N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine
CID 2753971
N-benzyl-N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine
CID 11034346
(4S,5S)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-5-phenyl-1,3-dioxolan-2-one
CID 12070727
[(2S)-2-(dibenzylamino)-3-phenylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15508140
(5S)-5-[(R)-(dibenzylamino)-phenylmethyl]-4,4-dimethyl-1,3-dioxolan-2-one
CID 50901273
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]-N-prop-2-enylbut-3-en-1-amine
CID 56651054

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one (CID 23629604) is (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one is O=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The InChIKey is JOLCWRHFYLSCBY-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H25NO3/c27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 23629604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).