benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate

C20H20N2O3 — CID 154983246

IUPACbenzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate
SMILESO=C(NC1C(c2ccccc2)NC(=O)C12CC2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24)
InChIKeyGNVUXJZJFULWTC-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.93
Rot. Bonds4

About benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate

benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate (PubChem CID 154983246) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate
PubChem CID154983246
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namebenzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate
SMILESO=C(NC1C(c2ccccc2)NC(=O)C12CC2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24)
InChIKeyGNVUXJZJFULWTC-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 154598099
benzyl N-(2-phenylpiperidin-3-yl)carbamate
CID 21197254
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
CID 154993875
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate?
The IUPAC name of benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate (CID 154983246) is benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate.
What is the SMILES notation for benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate?
The canonical SMILES for benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate is O=C(NC1C(c2ccccc2)NC(=O)C12CC2)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate?
The InChIKey is GNVUXJZJFULWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24).
What are the key properties of benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate?
benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate is sourced from PubChem (CID 154983246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).