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

C21H28N2O3 — CID 157373511

IUPACN-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCC(C)c1ccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)cc1
InChIInChI=1S/C21H28N2O3/c1-13(2)14-4-6-15(7-5-14)16-8-18(9-16)23(3)19(24)17-10-21(11-17)12-26-20(25)22-21/h4-7,13,16-18H,8-12H2,1-3H3,(H,22,25)
InChIKeyBKAUVVYBHJYFLY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.40
Rot. Bonds4

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

N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 157373511) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID157373511
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCC(C)c1ccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)cc1
InChIInChI=1S/C21H28N2O3/c1-13(2)14-4-6-15(7-5-14)16-8-18(9-16)23(3)19(24)17-10-21(11-17)12-26-20(25)22-21/h4-7,13,16-18H,8-12H2,1-3H3,(H,22,25)
InChIKeyBKAUVVYBHJYFLY-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 157373511) is N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is CC(C)c1ccc(C2CC(N(C)C(=O)C3CC4(COC(=O)N4)C3)C2)cc1.
What is the InChIKey of N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is BKAUVVYBHJYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13(2)14-4-6-15(7-5-14)16-8-18(9-16)23(3)19(24)17-10-21(11-17)12-26-20(25)22-21/h4-7,13,16-18H,8-12H2,1-3H3,(H,22,25).
What are the key properties of N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[3-(4-propan-2-ylphenyl)cyclobutyl]-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 157373511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).