2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide

C24H45N3O3 — CID 88892480

About 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide

2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide (PubChem CID 88892480) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide
• PubChem CID: 88892480
• Molecular Formula: C24H45N3O3
• Molecular Weight: 423.64 g/mol
• Exact Mass: 423.35
• IUPAC Name: 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide
• SMILES: CCC(CC)(C(=O)NC(C(=O)N(C)C(/C=C(\C)C(C)=O)C(C)C)C(C)(C)C)N(C)C
• InChI: InChI=1S/C24H45N3O3/c1-13-24(14-2,26(10)11)22(30)25-20(23(7,8)9)21(29)27(12)19(16(3)4)15-17(5)18(6)28/h15-16,19-20H,13-14H2,1-12H3,(H,25,30)/b17-15+
• InChIKey: RDFWPLSFZIILGP-BMRADRMJSA-N
• XLogP: 3.66
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.64
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide?

The IUPAC name of 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide (CID 88892480) is 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide.

What is the SMILES notation for 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide?

The canonical SMILES for 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide is CCC(CC)(C(=O)NC(C(=O)N(C)C(/C=C(\C)C(C)=O)C(C)C)C(C)(C)C)N(C)C.

What is the InChIKey of 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide?

The InChIKey is RDFWPLSFZIILGP-BMRADRMJSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-13-24(14-2,26(10)11)22(30)25-20(23(7,8)9)21(29)27(12)19(16(3)4)15-17(5)18(6)28/h15-16,19-20H,13-14H2,1-12H3,(H,25,30)/b17-15+.

What are the key properties of 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide?

2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide has a molecular weight of 423.64 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[1-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-ethylbutanamide is sourced from PubChem (CID 88892480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).