tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate

C19H26N2O6 — CID 10068224

IUPACtert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate
SMILESCOc1ccc(N2C(=O)OC(=O)[C@H]2[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H26N2O6/c1-11(2)14(20-17(23)27-19(3,4)5)15-16(22)26-18(24)21(15)12-7-9-13(25-6)10-8-12/h7-11,14-15H,1-6H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyLTMUDIVJSKVZDE-LSDHHAIUSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds5

About tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate (PubChem CID 10068224) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate
PubChem CID10068224
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Nametert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate
SMILESCOc1ccc(N2C(=O)OC(=O)[C@H]2[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H26N2O6/c1-11(2)14(20-17(23)27-19(3,4)5)15-16(22)26-18(24)21(15)12-7-9-13(25-6)10-8-12/h7-11,14-15H,1-6H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyLTMUDIVJSKVZDE-LSDHHAIUSA-N
XLogP3.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-3-methylbutyl]carbamate
CID 10000588
tert-butyl N-[(2S)-1-hydroxy-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]carbamate
CID 10070458
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
tert-butyl N-[(1S)-1-[(2R)-1-(4-methylphenyl)-3,4-dioxoazetidin-2-yl]ethyl]carbamate
CID 10381202
tert-butyl N-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-methylbutan-2-yl]carbamate
CID 10544071
tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
CID 10715774
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
tert-butyl N-(1-cyclopenta-2,4-dien-1-yl-2-methylpropyl)carbamate
CID 101340435
tert-butyl N-[(2S)-1-(4-methoxyphenyl)imino-3-methylbutan-2-yl]carbamate
CID 15675085
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
CID 15675079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate (CID 10068224) is tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate is COc1ccc(N2C(=O)OC(=O)[C@H]2[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate?
The InChIKey is LTMUDIVJSKVZDE-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-11(2)14(20-17(23)27-19(3,4)5)15-16(22)26-18(24)21(15)12-7-9-13(25-6)10-8-12/h7-11,14-15H,1-6H3,(H,20,23)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 10068224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).