N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide

C17H30N6O6 — CID 176672153

About N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide

N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide (PubChem CID 176672153) has the molecular formula C17H30N6O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide
• PubChem CID: 176672153
• Molecular Formula: C17H30N6O6
• Molecular Weight: 414.46 g/mol
• Exact Mass: 414.22
• IUPAC Name: N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide
• SMILES: CCN(C)C(=O)CN(C)C(=O)CNC(=O)CN(C)C(=O)CN(C)C(=O)CNC=O
• InChI: InChI=1S/C17H30N6O6/c1-6-20(2)16(28)10-23(5)15(27)8-19-13(25)9-21(3)17(29)11-22(4)14(26)7-18-12-24/h12H,6-11H2,1-5H3,(H,18,24)(H,19,25)
• InChIKey: RRRNJAOXRRWNCL-UHFFFAOYSA-N
• XLogP: -3.30
• TPSA: 139.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.46
LogP ≤ 5	-3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide?

The IUPAC name of N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide (CID 176672153) is N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide.

What is the SMILES notation for N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide?

The canonical SMILES for N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide is CCN(C)C(=O)CN(C)C(=O)CNC(=O)CN(C)C(=O)CN(C)C(=O)CNC=O.

What is the InChIKey of N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide?

The InChIKey is RRRNJAOXRRWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O6/c1-6-20(2)16(28)10-23(5)15(27)8-19-13(25)9-21(3)17(29)11-22(4)14(26)7-18-12-24/h12H,6-11H2,1-5H3,(H,18,24)(H,19,25).

What are the key properties of N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide?

N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide has a molecular weight of 414.46 g/mol, XLogP of -3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-formamido-N-methylacetamide is sourced from PubChem (CID 176672153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).