4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide

C20H39N3O7 — CID 137432077

About 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide

4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide (PubChem CID 137432077) has the molecular formula C20H39N3O7 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

• Compound Name: 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
• PubChem CID: 137432077
• Molecular Formula: C20H39N3O7
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.28
• IUPAC Name: 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
• SMILES: CNCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)C
• InChI: InChI=1S/C20H39N3O7/c1-17(2)18(24)15-29-13-11-28-10-8-23-20(26)16-30-14-12-27-9-7-22-19(25)5-4-6-21-3/h17,21H,4-16H2,1-3H3,(H,22,25)(H,23,26)
• InChIKey: RCZIWAYQWYUANQ-UHFFFAOYSA-N
• XLogP: -0.49
• TPSA: 124.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?

The IUPAC name of 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide (CID 137432077) is 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide.

What is the SMILES notation for 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?

The canonical SMILES for 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide is CNCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)C.

What is the InChIKey of 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?

The InChIKey is RCZIWAYQWYUANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O7/c1-17(2)18(24)15-29-13-11-28-10-8-23-20(26)16-30-14-12-27-9-7-22-19(25)5-4-6-21-3/h17,21H,4-16H2,1-3H3,(H,22,25)(H,23,26).

What are the key properties of 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?

4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide has a molecular weight of 433.55 g/mol, XLogP of -0.49, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 137432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).