4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid

C18H34N2O7 — CID 23377100

IUPAC4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
SMILESCCCC(=O)N(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O
InChIInChI=1S/C18H34N2O7/c1-4-5-16(21)19(2)8-10-25-12-14-27-15-13-26-11-9-20(3)17(22)6-7-18(23)24/h4-15H2,1-3H3,(H,23,24)
InChIKeyANZXPVKSZWLXLS-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.62
Rot. Bonds17

About 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid

4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid (PubChem CID 23377100) has the molecular formula C18H34N2O7 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
PubChem CID23377100
Molecular FormulaC18H34N2O7
Molecular Weight390.48 g/mol
Exact Mass390.24
IUPAC Name4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
SMILESCCCC(=O)N(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O
InChIInChI=1S/C18H34N2O7/c1-4-5-16(21)19(2)8-10-25-12-14-27-15-13-26-11-9-20(3)17(22)6-7-18(23)24/h4-15H2,1-3H3,(H,23,24)
InChIKeyANZXPVKSZWLXLS-UHFFFAOYSA-N
XLogP0.62
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.62
H-Bond Donors ≤ 51
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 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid (CID 23377100) is 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid is CCCC(=O)N(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The InChIKey is ANZXPVKSZWLXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O7/c1-4-5-16(21)19(2)8-10-25-12-14-27-15-13-26-11-9-20(3)17(22)6-7-18(23)24/h4-15H2,1-3H3,(H,23,24).
What are the key properties of 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid has a molecular weight of 390.48 g/mol, XLogP of 0.62, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[butanoyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 23377100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).