1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide

C16H25N3O4 — CID 138015872

IUPAC1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide
SMILESCCC1OC2(CCN(C(=O)C3(C(=O)NC)CCC3)CC2)NC1=O
InChIInChI=1S/C16H25N3O4/c1-3-11-12(20)18-16(23-11)7-9-19(10-8-16)14(22)15(5-4-6-15)13(21)17-2/h11H,3-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySSSLROMXICOVAT-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.15
Rot. Bonds3

About 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide

1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 138015872) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide
PubChem CID138015872
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide
SMILESCCC1OC2(CCN(C(=O)C3(C(=O)NC)CCC3)CC2)NC1=O
InChIInChI=1S/C16H25N3O4/c1-3-11-12(20)18-16(23-11)7-9-19(10-8-16)14(22)15(5-4-6-15)13(21)17-2/h11H,3-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySSSLROMXICOVAT-UHFFFAOYSA-N
XLogP0.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide (CID 138015872) is 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide is CCC1OC2(CCN(C(=O)C3(C(=O)NC)CCC3)CC2)NC1=O.
What is the InChIKey of 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is SSSLROMXICOVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-3-11-12(20)18-16(23-11)7-9-19(10-8-16)14(22)15(5-4-6-15)13(21)17-2/h11H,3-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide?
1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 138015872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).