N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

C22H30N2O3 — CID 156864696

IUPACN-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C22H30N2O3/c1-21(2,3)17-7-5-14(6-8-17)15-9-18(10-15)24(4)19(25)16-11-22(12-16)13-27-20(26)23-22/h5-8,15-16,18H,9-13H2,1-4H3,(H,23,26)
InChIKeyKNSZJHBFARHUSA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.58
Rot. Bonds3

About N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 156864696) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID156864696
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C22H30N2O3/c1-21(2,3)17-7-5-14(6-8-17)15-9-18(10-15)24(4)19(25)16-11-22(12-16)13-27-20(26)23-22/h5-8,15-16,18H,9-13H2,1-4H3,(H,23,26)
InChIKeyKNSZJHBFARHUSA-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 156864696) is N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is CN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is KNSZJHBFARHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-21(2,3)17-7-5-14(6-8-17)15-9-18(10-15)24(4)19(25)16-11-22(12-16)13-27-20(26)23-22/h5-8,15-16,18H,9-13H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 156864696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).