tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate

C19H27N3O5 — CID 110613795

IUPACtert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H27N3O5/c1-12(2)15(21-17(24)27-19(3,4)5)16(23)20-13-6-8-14(9-7-13)22-10-11-26-18(22)25/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyOYYWUFQXRQKZTG-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate (PubChem CID 110613795) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
PubChem CID110613795
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nametert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H27N3O5/c1-12(2)15(21-17(24)27-19(3,4)5)16(23)20-13-6-8-14(9-7-13)22-10-11-26-18(22)25/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyOYYWUFQXRQKZTG-UHFFFAOYSA-N
XLogP3.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
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tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
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tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
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ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
tert-butyl N-[(2S)-3-methyl-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxobutan-2-yl]carbamate
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1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
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tert-butyl N-[(2S)-1-[[(2S)-1-[4-(chloromethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 164512763
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate (CID 110613795) is tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate?
The InChIKey is OYYWUFQXRQKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-12(2)15(21-17(24)27-19(3,4)5)16(23)20-13-6-8-14(9-7-13)22-10-11-26-18(22)25/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate is sourced from PubChem (CID 110613795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).