tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate

C18H26N2O4 — CID 70064876

IUPACtert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C1CNCCO1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14(11-13-7-5-4-6-8-13)16(21)15-12-19-9-10-23-15/h4-8,14-15,19H,9-12H2,1-3H3,(H,20,22)/t14-,15?/m0/s1
InChIKeyXXQNTTHVCQDSRN-MLCCFXAWSA-N
MW334.42 g/mol
LogP1.68
Rot. Bonds5

About tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 70064876) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID70064876
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C1CNCCO1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14(11-13-7-5-4-6-8-13)16(21)15-12-19-9-10-23-15/h4-8,14-15,19H,9-12H2,1-3H3,(H,20,22)/t14-,15?/m0/s1
InChIKeyXXQNTTHVCQDSRN-MLCCFXAWSA-N
XLogP1.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoic acid
CID 18786657
tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
CID 102317944
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
CID 101486195
CID 101486195
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
benzyl (2S)-3,3-dimethyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butanoate
CID 154718207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate (CID 70064876) is tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C1CNCCO1.
What is the InChIKey of tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is XXQNTTHVCQDSRN-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14(11-13-7-5-4-6-8-13)16(21)15-12-19-9-10-23-15/h4-8,14-15,19H,9-12H2,1-3H3,(H,20,22)/t14-,15?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 70064876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).