[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate

C20H24N2O3 — CID 67430934

IUPAC[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate
SMILESC[C@H](C(=O)N(C)C)C(Cc1ccccc1)(OC(N)=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(18(23)22(2)3)20(25-19(21)24,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14H2,1-3H3,(H2,21,24)/t15-,20?/m1/s1
InChIKeyMNGPMYSMBDBAAF-IWPPFLRJSA-N
MW340.42 g/mol
LogP2.94
Rot. Bonds6

About [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate

[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate (PubChem CID 67430934) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate
PubChem CID67430934
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate
SMILESC[C@H](C(=O)N(C)C)C(Cc1ccccc1)(OC(N)=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(18(23)22(2)3)20(25-19(21)24,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14H2,1-3H3,(H2,21,24)/t15-,20?/m1/s1
InChIKeyMNGPMYSMBDBAAF-IWPPFLRJSA-N
XLogP2.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
CID 15329
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;formaldehyde
CID 175270994
1,1-diphenylethyl carbamate
CID 20976713
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
(1,1,1-trichloro-2-hydroxy-3-phenylpropan-2-yl) carbamate
CID 175549972
[4-(dimethylamino)-1-(4-fluorophenyl)-3-methyl-2-phenylbutan-2-yl] propanoate
CID 77439760
2-phenylpropan-2-yl carbamate;propane
CID 175117543
tert-butyl carbamate;propylbenzene
CID 146635957
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
[(2S)-2-(3-methylbutylamino)-1-phenylbutan-2-yl] carbamate
CID 67818589
2-benzyl-5-(methylamino)-2-phenylhexanamide
CID 174298309

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate?
The IUPAC name of [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate (CID 67430934) is [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate.
What is the SMILES notation for [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate?
The canonical SMILES for [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate is C[C@H](C(=O)N(C)C)C(Cc1ccccc1)(OC(N)=O)c1ccccc1.
What is the InChIKey of [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate?
The InChIKey is MNGPMYSMBDBAAF-IWPPFLRJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(18(23)22(2)3)20(25-19(21)24,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,15H,14H2,1-3H3,(H2,21,24)/t15-,20?/m1/s1.
What are the key properties of [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate?
[(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate has a molecular weight of 340.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(dimethylamino)-3-methyl-4-oxo-1,2-diphenylbutan-2-yl] carbamate is sourced from PubChem (CID 67430934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).