(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine

C36H44N2O2 — CID 158325730

IUPAC(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine
SMILESC.CC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.CC(C)[C@H](N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2.C17H21N.CH4/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-13,16H,1-2H3,(H,19,20);3-13,16-17H,18H2,1-2H3;1H4/t16-;17-;/m00./s1
InChIKeyGPJNYJCEZKOFLI-MGVMAWGKSA-N
MW536.76 g/mol
LogP8.13
Rot. Bonds7

About (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine

(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine (PubChem CID 158325730) has the molecular formula C36H44N2O2 and a molecular weight of 536.76 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine
PubChem CID158325730
Molecular FormulaC36H44N2O2
Molecular Weight536.76 g/mol
Exact Mass536.34
IUPAC Name(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine
SMILESC.CC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.CC(C)[C@H](N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2.C17H21N.CH4/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-13,16H,1-2H3,(H,19,20);3-13,16-17H,18H2,1-2H3;1H4/t16-;17-;/m00./s1
InChIKeyGPJNYJCEZKOFLI-MGVMAWGKSA-N
XLogP8.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455714
dibenzyl ((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate
CID 10393187
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
dibenzyl ((2S,3S,5S)-3-hydroxy-1,6-diphenylhexane-2,5-diyl)dicarbamate
CID 460972
(4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 9838646
(R)-4-Isopropyl-5,5-diphenyloxazolidin-2-one
CID 11300512
(2S,3R,4S,5S)-bis[N-(Benzyloxycarbonyl)amino]-3,4-dihydroxy-1,6-diphenylhexane
CID 464470
1,1-Diphenyl-2-butynyl cyclohexylcarbamate
CID 155615
pent-4-enyl N-(1-trityloxybut-3-en-2-yl)carbamate
CID 10972236
5-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 231308
4-Methyl-5,5-diphenyl-1,3-oxazolidin-2-one
CID 349663
(R)-5,5-Diphenyl-4-benzyl-2-oxazolidinone
CID 4527113

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine?
The IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine (CID 158325730) is (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine.
What is the SMILES notation for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine?
The canonical SMILES for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine is C.CC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.CC(C)[C@H](N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine?
The InChIKey is GPJNYJCEZKOFLI-MGVMAWGKSA-N. The full InChI is InChI=1S/C18H19NO2.C17H21N.CH4/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-13,16H,1-2H3,(H,19,20);3-13,16-17H,18H2,1-2H3;1H4/t16-;17-;/m00./s1.
What are the key properties of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine?
(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine has a molecular weight of 536.76 g/mol, XLogP of 8.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine is sourced from PubChem (CID 158325730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).