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

C22H28N2O3 — CID 159387166

IUPACN-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCc1cc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)ccc1C1CC1
InChIInChI=1S/C22H28N2O3/c1-13-7-15(5-6-19(13)14-3-4-14)16-8-18(9-16)24(2)20(25)17-10-22(11-17)12-27-21(26)23-22/h5-7,14,16-18H,3-4,8-12H2,1-2H3,(H,23,26)
InChIKeyLLQIZRIYKZPIPE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.47
Rot. Bonds4

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

N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 159387166) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID159387166
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCc1cc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)ccc1C1CC1
InChIInChI=1S/C22H28N2O3/c1-13-7-15(5-6-19(13)14-3-4-14)16-8-18(9-16)24(2)20(25)17-10-22(11-17)12-27-21(26)23-22/h5-7,14,16-18H,3-4,8-12H2,1-2H3,(H,23,26)
InChIKeyLLQIZRIYKZPIPE-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 159387166) is N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is Cc1cc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)ccc1C1CC1.
What is the InChIKey of N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is LLQIZRIYKZPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-13-7-15(5-6-19(13)14-3-4-14)16-8-18(9-16)24(2)20(25)17-10-22(11-17)12-27-21(26)23-22/h5-7,14,16-18H,3-4,8-12H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-3-methylphenyl)cyclobutyl]-N-methyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 159387166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).