tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate

C19H26N2O3 — CID 70917701

IUPACtert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESCC(c1ccccc1)N1CC(NC(=O)OC(C)(C)C)C2(CC2)C1=O
InChIInChI=1S/C19H26N2O3/c1-13(14-8-6-5-7-9-14)21-12-15(19(10-11-19)16(21)22)20-17(23)24-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3,(H,20,23)
InChIKeyVQGHEGUMJNVDRO-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate

tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate (PubChem CID 70917701) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
PubChem CID70917701
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESCC(c1ccccc1)N1CC(NC(=O)OC(C)(C)C)C2(CC2)C1=O
InChIInChI=1S/C19H26N2O3/c1-13(14-8-6-5-7-9-14)21-12-15(19(10-11-19)16(21)22)20-17(23)24-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3,(H,20,23)
InChIKeyVQGHEGUMJNVDRO-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
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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-[4-(fluoromethyl)-2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamate
CID 18762932
tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
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tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
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tert-butyl (1S,5S)-5-methyl-4-oxo-3-(1-phenylethyl)-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 143715078
tert-butyl N-[(6S,7R)-6-methoxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
CID 134481878
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate (CID 70917701) is tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate is CC(c1ccccc1)N1CC(NC(=O)OC(C)(C)C)C2(CC2)C1=O.
What is the InChIKey of tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The InChIKey is VQGHEGUMJNVDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(14-8-6-5-7-9-14)21-12-15(19(10-11-19)16(21)22)20-17(23)24-18(2,3)4/h5-9,13,15H,10-12H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate?
tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate is sourced from PubChem (CID 70917701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).