N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide

C20H34N4O6 — CID 166196584

IUPACN-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(C(=O)COCCOCC(=O)N(C)C1CCCCNC1=O)C1CCCCNC1=O
InChIInChI=1S/C20H34N4O6/c1-23(15-7-3-5-9-21-19(15)27)17(25)13-29-11-12-30-14-18(26)24(2)16-8-4-6-10-22-20(16)28/h15-16H,3-14H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyGZOCIGCTXQPRRG-UHFFFAOYSA-N
MW426.51 g/mol
LogP-0.73
Rot. Bonds9

About N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide

N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 166196584) has the molecular formula C20H34N4O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
PubChem CID166196584
Molecular FormulaC20H34N4O6
Molecular Weight426.51 g/mol
Exact Mass426.25
IUPAC NameN-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(C(=O)COCCOCC(=O)N(C)C1CCCCNC1=O)C1CCCCNC1=O
InChIInChI=1S/C20H34N4O6/c1-23(15-7-3-5-9-21-19(15)27)17(25)13-29-11-12-30-14-18(26)24(2)16-8-4-6-10-22-20(16)28/h15-16H,3-14H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyGZOCIGCTXQPRRG-UHFFFAOYSA-N
XLogP-0.73
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide (CID 166196584) is N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide is CN(C(=O)COCCOCC(=O)N(C)C1CCCCNC1=O)C1CCCCNC1=O.
What is the InChIKey of N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is GZOCIGCTXQPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O6/c1-23(15-7-3-5-9-21-19(15)27)17(25)13-29-11-12-30-14-18(26)24(2)16-8-4-6-10-22-20(16)28/h15-16H,3-14H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide?
N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 426.51 g/mol, XLogP of -0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 166196584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).