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

C19H24N2O3 — CID 160873393

IUPACN-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCc1cccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)c1
InChIInChI=1S/C19H24N2O3/c1-12-4-3-5-13(6-12)14-7-16(8-14)21(2)17(22)15-9-19(10-15)11-24-18(23)20-19/h3-6,14-16H,7-11H2,1-2H3,(H,20,23)
InChIKeySMBCXOGEILSEIZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.59
Rot. Bonds3

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

N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 160873393) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID160873393
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCc1cccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)c1
InChIInChI=1S/C19H24N2O3/c1-12-4-3-5-13(6-12)14-7-16(8-14)21(2)17(22)15-9-19(10-15)11-24-18(23)20-19/h3-6,14-16H,7-11H2,1-2H3,(H,20,23)
InChIKeySMBCXOGEILSEIZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 160873393) is N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is Cc1cccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)c1.
What is the InChIKey of N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is SMBCXOGEILSEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-4-3-5-13(6-12)14-7-16(8-14)21(2)17(22)15-9-19(10-15)11-24-18(23)20-19/h3-6,14-16H,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methylphenyl)cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 160873393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).