10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid

C17H34N2O5 — CID 172858760

IUPAC10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid
SMILESO=CCNCCNCCOCOCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34N2O5/c20-13-11-18-9-10-19-12-15-24-16-23-14-7-5-3-1-2-4-6-8-17(21)22/h13,18-19H,1-12,14-16H2,(H,21,22)
InChIKeyZBLPIRCYCZXFAH-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.56
Rot. Bonds20

About 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid

10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid (PubChem CID 172858760) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid.

Molecular Properties

Compound Name10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid
PubChem CID172858760
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Name10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid
SMILESO=CCNCCNCCOCOCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34N2O5/c20-13-11-18-9-10-19-12-15-24-16-23-14-7-5-3-1-2-4-6-8-17(21)22/h13,18-19H,1-12,14-16H2,(H,21,22)
InChIKeyZBLPIRCYCZXFAH-UHFFFAOYSA-N
XLogP1.56
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-[5-(3-formyloxypropoxymethoxy)pentanoyloxy]butanoic acid
CID 59035262
docosanoic acid;1-dodecoxydodecane;2-(2-hydroxyethylamino)ethanol
CID 88797062
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
6-formyloxyhexanoic acid
CID 15269375

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid?
The IUPAC name of 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid (CID 172858760) is 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid.
What is the SMILES notation for 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid?
The canonical SMILES for 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid is O=CCNCCNCCOCOCCCCCCCCCC(=O)O.
What is the InChIKey of 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid?
The InChIKey is ZBLPIRCYCZXFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O5/c20-13-11-18-9-10-19-12-15-24-16-23-14-7-5-3-1-2-4-6-8-17(21)22/h13,18-19H,1-12,14-16H2,(H,21,22).
What are the key properties of 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid?
10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid has a molecular weight of 346.47 g/mol, XLogP of 1.56, 20 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(2-oxoethylamino)ethylamino]ethoxymethoxy]decanoic acid is sourced from PubChem (CID 172858760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).