5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide

C15H25N3O3 — CID 64837222

IUPAC5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCN1C(=O)C2C(C1=O)C2(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-5-17-15(4,13(16)21)7-6-8-18-11(19)9-10(12(18)20)14(9,2)3/h9-10,17H,5-8H2,1-4H3,(H2,16,21)
InChIKeyCQXMTVPXUUOHCZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.26
Rot. Bonds7

About 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide

5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide (PubChem CID 64837222) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide
PubChem CID64837222
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCN1C(=O)C2C(C1=O)C2(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-5-17-15(4,13(16)21)7-6-8-18-11(19)9-10(12(18)20)14(9,2)3/h9-10,17H,5-8H2,1-4H3,(H2,16,21)
InChIKeyCQXMTVPXUUOHCZ-UHFFFAOYSA-N
XLogP0.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide (CID 64837222) is 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CCCN1C(=O)C2C(C1=O)C2(C)C)C(N)=O.
What is the InChIKey of 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide?
The InChIKey is CQXMTVPXUUOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-17-15(4,13(16)21)7-6-8-18-11(19)9-10(12(18)20)14(9,2)3/h9-10,17H,5-8H2,1-4H3,(H2,16,21).
What are the key properties of 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide?
5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide has a molecular weight of 295.38 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 64837222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).