fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C19H37FN2O9 — CID 167261994

IUPACfluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF
InChIInChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23)
InChIKeyXLQPFSHGWOMGCD-UHFFFAOYSA-N
MW456.51 g/mol
LogP-0.42
Rot. Bonds23

About fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 167261994) has the molecular formula C19H37FN2O9 and a molecular weight of 456.51 g/mol. Its IUPAC name is fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namefluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID167261994
Molecular FormulaC19H37FN2O9
Molecular Weight456.51 g/mol
Exact Mass456.25
IUPAC Namefluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF
InChIInChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23)
InChIKeyXLQPFSHGWOMGCD-UHFFFAOYSA-N
XLogP-0.42
TPSA114.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[[2-(Methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride
CID 164560509
Ethyl {[(16-{2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetyl]amino}acetate
CID 3849873
Ethyl 2-[[2-[10-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetyl]amino]acetate
CID 10095781
Ethyl 2-[[2-[13-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetyl]amino]acetate
CID 10097629
2-[4,7-Bis(1-carboxy-2-hydroxyethyl)-10-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 11135634
Methyl 2-[4-(2-methoxy-2-oxoethyl)-7-[2-oxo-2-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]ethyl]-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 20617764
2-[Bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate
CID 22943943
2-[Bis[2-[[2-[2-(2-acetyloxyethoxy)ethylamino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate
CID 22943945
Ethyl 2-[4-[2-(2-acetamidoethylamino)-2-oxoethyl]-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23196990
2-[2-[Bis(carboxylatomethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetate
CID 23524478
Ethyl 2-[2-[2-[2-[bis[2-(methylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 23551124
Diethyl 2-[[2-(dimethylamino)acetyl]amino]propanedioate
CID 54182197

Frequently Asked Questions

What is the IUPAC name of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 167261994) is fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF.
What is the InChIKey of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is XLQPFSHGWOMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23).
What are the key properties of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 456.51 g/mol, XLogP of -0.42, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 167261994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).