20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid

C25H48N2O5 — CID 154937129

IUPAC20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
SMILESCNC(=O)COCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H48N2O5/c1-26-24(29)22-32-21-20-27-23(28)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(30)31/h2-22H2,1H3,(H,26,29)(H,27,28)(H,30,31)
InChIKeyQKUYTGHOBZAHKZ-UHFFFAOYSA-N
MW456.67 g/mol
LogP4.97
Rot. Bonds24

About 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid

20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid (PubChem CID 154937129) has the molecular formula C25H48N2O5 and a molecular weight of 456.67 g/mol. Its IUPAC name is 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
PubChem CID154937129
Molecular FormulaC25H48N2O5
Molecular Weight456.67 g/mol
Exact Mass456.36
IUPAC Name20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
SMILESCNC(=O)COCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H48N2O5/c1-26-24(29)22-32-21-20-27-23(28)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(30)31/h2-22H2,1H3,(H,26,29)(H,27,28)(H,30,31)
InChIKeyQKUYTGHOBZAHKZ-UHFFFAOYSA-N
XLogP4.97
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.67
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid
CID 139387525
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677
(2R)-2-[3-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid
CID 162133967
20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
5-[2-[2-[2-[2-[2-[2-(5-hydroxypentylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 155280004
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
11-[[2-[2-[2-(6-carboxyhexanoylamino)ethoxy]ethoxy]acetyl]amino]undecanoic acid;(Z)-prop-1-en-1-amine
CID 170598132
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456

Frequently Asked Questions

What is the IUPAC name of 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid?
The IUPAC name of 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid (CID 154937129) is 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid.
What is the SMILES notation for 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid?
The canonical SMILES for 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid is CNC(=O)COCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid?
The InChIKey is QKUYTGHOBZAHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O5/c1-26-24(29)22-32-21-20-27-23(28)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(30)31/h2-22H2,1H3,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid?
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid has a molecular weight of 456.67 g/mol, XLogP of 4.97, 24 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid is sourced from PubChem (CID 154937129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).