tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate

C18H24N2O3 — CID 144619198

IUPACtert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
SMILESCC(c1ccccc1)N1CC2CC2(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H24N2O3/c1-12(13-8-6-5-7-9-13)20-11-14-10-18(14,15(20)21)19-16(22)23-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,19,22)
InChIKeyFZTYFDPPSKFUJN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate

tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate (PubChem CID 144619198) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
PubChem CID144619198
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
SMILESCC(c1ccccc1)N1CC2CC2(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H24N2O3/c1-12(13-8-6-5-7-9-13)20-11-14-10-18(14,15(20)21)19-16(22)23-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,19,22)
InChIKeyFZTYFDPPSKFUJN-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 70917701
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tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721
tert-butyl N-[(3aS,7aS)-6-oxo-2-[(1R)-1-phenylethyl]-1,3,4,5,7,7a-hexahydroisoindol-3a-yl]carbamate
CID 67491446
tert-butyl N-[4-(fluoromethyl)-2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamate
CID 18762932
tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate
CID 147841196
(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006
tert-butyl (1S,5S)-5-methyl-4-oxo-3-(1-phenylethyl)-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 143715078
tert-butyl N-[(1R,5R)-5-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-1-yl]carbamate
CID 67490921
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate (CID 144619198) is tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate is CC(c1ccccc1)N1CC2CC2(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
The InChIKey is FZTYFDPPSKFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(13-8-6-5-7-9-13)20-11-14-10-18(14,15(20)21)19-16(22)23-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate?
tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate is sourced from PubChem (CID 144619198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).