N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide

C25H46N4O9 — CID 166997106

About N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide

N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide (PubChem CID 166997106) has the molecular formula C25H46N4O9 and a molecular weight of 546.66 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
• PubChem CID: 166997106
• Molecular Formula: C25H46N4O9
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.33
• IUPAC Name: N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
• SMILES: CNCCCC(C=O)NC(=O)CNC(=O)CCOCCOCCOCCOCCN(C)C(=O)CC(C)C=O
• InChI: InChI=1S/C25H46N4O9/c1-21(19-30)17-25(34)29(3)8-10-36-12-14-38-16-15-37-13-11-35-9-6-23(32)27-18-24(33)28-22(20-31)5-4-7-26-2/h19-22,26H,4-18H2,1-3H3,(H,27,32)(H,28,33)
• InChIKey: IGQZXEPVHJBLGA-UHFFFAOYSA-N
• XLogP: -1.07
• TPSA: 161.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide?

The IUPAC name of N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide (CID 166997106) is N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide.

What is the SMILES notation for N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide?

The canonical SMILES for N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide is CNCCCC(C=O)NC(=O)CNC(=O)CCOCCOCCOCCOCCN(C)C(=O)CC(C)C=O.

What is the InChIKey of N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide?

The InChIKey is IGQZXEPVHJBLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O9/c1-21(19-30)17-25(34)29(3)8-10-36-12-14-38-16-15-37-13-11-35-9-6-23(32)27-18-24(33)28-22(20-31)5-4-7-26-2/h19-22,26H,4-18H2,1-3H3,(H,27,32)(H,28,33).

What are the key properties of N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide?

N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide has a molecular weight of 546.66 g/mol, XLogP of -1.07, 26 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide is sourced from PubChem (CID 166997106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).