2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide

C19H34N4O5 — CID 126760807

About 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide

2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide (PubChem CID 126760807) has the molecular formula C19H34N4O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide.

Molecular Properties

• Compound Name: 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide
• PubChem CID: 126760807
• Molecular Formula: C19H34N4O5
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.25
• IUPAC Name: 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide
• SMILES: CC(C)CC(C(=O)N(C)C(C(=O)N(C)CC(=O)NCC=O)C(C)C)N(C)C=O
• InChI: InChI=1S/C19H34N4O5/c1-13(2)10-15(22(6)12-25)18(27)23(7)17(14(3)4)19(28)21(5)11-16(26)20-8-9-24/h9,12-15,17H,8,10-11H2,1-7H3,(H,20,26)
• InChIKey: CMLMMOVUGDFRQR-UHFFFAOYSA-N
• XLogP: -0.25
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide?

The IUPAC name of 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide (CID 126760807) is 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide.

What is the SMILES notation for 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide?

The canonical SMILES for 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide is CC(C)CC(C(=O)N(C)C(C(=O)N(C)CC(=O)NCC=O)C(C)C)N(C)C=O.

What is the InChIKey of 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide?

The InChIKey is CMLMMOVUGDFRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O5/c1-13(2)10-15(22(6)12-25)18(27)23(7)17(14(3)4)19(28)21(5)11-16(26)20-8-9-24/h9,12-15,17H,8,10-11H2,1-7H3,(H,20,26).

What are the key properties of 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide?

2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide has a molecular weight of 398.50 g/mol, XLogP of -0.25, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[formyl(methyl)amino]-N,4-dimethyl-N-[3-methyl-1-[methyl-[2-oxo-2-(2-oxoethylamino)ethyl]amino]-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 126760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).