N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

C22H28N2O3 — CID 166594661

IUPACN-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C3(C)CC3)cc2)C1
InChIInChI=1S/C22H28N2O3/c1-21(7-8-21)17-5-3-14(4-6-17)15-9-18(10-15)24(2)19(25)16-11-22(12-16)13-27-20(26)23-22/h3-6,15-16,18H,7-13H2,1-2H3,(H,23,26)
InChIKeyZOZHZTZJAJLWIV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.33
Rot. Bonds4

About N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 166594661) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID166594661
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C3(C)CC3)cc2)C1
InChIInChI=1S/C22H28N2O3/c1-21(7-8-21)17-5-3-14(4-6-17)15-9-18(10-15)24(2)19(25)16-11-22(12-16)13-27-20(26)23-22/h3-6,15-16,18H,7-13H2,1-2H3,(H,23,26)
InChIKeyZOZHZTZJAJLWIV-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 166594661) is N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is CN(C(=O)C1CC2(COC(=O)N2)C1)C1CC(c2ccc(C3(C)CC3)cc2)C1.
What is the InChIKey of N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is ZOZHZTZJAJLWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-21(7-8-21)17-5-3-14(4-6-17)15-9-18(10-15)24(2)19(25)16-11-22(12-16)13-27-20(26)23-22/h3-6,15-16,18H,7-13H2,1-2H3,(H,23,26).
What are the key properties of N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-(1-methylcyclopropyl)phenyl]cyclobutyl]-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 166594661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).