tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate

C19H26N2O4 — CID 11824172

IUPACtert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)20-16(13-22)17-11-15(23)9-10-21(17)12-14-7-5-4-6-8-14/h4-10,16-17,22H,11-13H2,1-3H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyATGIOCOFEZBSBH-IAGOWNOFSA-N
MW346.43 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate (PubChem CID 11824172) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate
PubChem CID11824172
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)20-16(13-22)17-11-15(23)9-10-21(17)12-14-7-5-4-6-8-14/h4-10,16-17,22H,11-13H2,1-3H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyATGIOCOFEZBSBH-IAGOWNOFSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate with MolForge

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Related Compounds

1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 12787406
tert-butyl N-[(1R)-1-(4-oxo-3,7-dihydro-2H-oxepin-2-yl)-2-phenylethyl]carbamate
CID 101251997
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
CID 24828327
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
(2S)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3-dihydropyridin-4-one
CID 15310236
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate (CID 11824172) is tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(=O)C=CN1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate?
The InChIKey is ATGIOCOFEZBSBH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)20-16(13-22)17-11-15(23)9-10-21(17)12-14-7-5-4-6-8-14/h4-10,16-17,22H,11-13H2,1-3H3,(H,20,24)/t16-,17-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 11824172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).