10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid

C26H52N2O6 — CID 174191624

IUPAC10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid
SMILESCCCCCC(CCCCCCCCC(=O)O)OC(=O)OCCN(CCO)CCN(CC)CC
InChIInChI=1S/C26H52N2O6/c1-4-7-12-15-24(16-13-10-8-9-11-14-17-25(30)31)34-26(32)33-23-21-28(20-22-29)19-18-27(5-2)6-3/h24,29H,4-23H2,1-3H3,(H,30,31)
InChIKeyGTSDUPUASPRLHM-UHFFFAOYSA-N
MW488.71 g/mol
LogP4.93
Rot. Bonds24

About 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid

10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid (PubChem CID 174191624) has the molecular formula C26H52N2O6 and a molecular weight of 488.71 g/mol. Its IUPAC name is 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid.

Molecular Properties

Compound Name10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid
PubChem CID174191624
Molecular FormulaC26H52N2O6
Molecular Weight488.71 g/mol
Exact Mass488.38
IUPAC Name10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid
SMILESCCCCCC(CCCCCCCCC(=O)O)OC(=O)OCCN(CCO)CCN(CC)CC
InChIInChI=1S/C26H52N2O6/c1-4-7-12-15-24(16-13-10-8-9-11-14-17-25(30)31)34-26(32)33-23-21-28(20-22-29)19-18-27(5-2)6-3/h24,29H,4-23H2,1-3H3,(H,30,31)
InChIKeyGTSDUPUASPRLHM-UHFFFAOYSA-N
XLogP4.93
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.71
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butyloctyl 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-butyloctyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;octanoic acid
CID 162111681
2-butyloctyl 5-[2-[2-decanoyloxyethyl-[2-(diethylamino)ethyl]amino]ethoxycarbonyloxy]undecanoate;2-butyloctyl 5-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]undecanoate;decanoic acid
CID 165018686
8-[6-heptadecan-9-yloxycarbonyloxyhexyl(2-hydroxyethyl)amino]octanoic acid
CID 174317786
2-pentylheptyl 11-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]heptadecanoate
CID 175420927
2-butyloctyl 11-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]heptadecanoate
CID 175420928
5-[2-[2-(1-carboxydecan-4-yloxycarbonyloxy)ethyl-[2-(dimethylamino)ethyl]amino]ethoxycarbonyloxy]undecanoic acid
CID 175997278
2-hexyldecyl 10-[2-[3-(diethylamino)propyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]hexadecanoate
CID 164717377
5-[2-[2-(6-carboxyhexan-3-yloxycarbonyloxy)ethyl-[2-(diethylamino)ethyl]amino]ethoxycarbonyloxy]heptanoic acid
CID 174213830
2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-[2-[16-(2-hexyldecoxy)-16-oxohexadecan-7-yl]oxycarbonyloxyethyl]amino]ethoxycarbonyloxy]hexadecanoate
CID 166099240
diheptyl 5-[2-[2-(diethylamino)ethyl-[2-(1,9-diheptoxy-1,9-dioxononan-5-yl)oxycarbonyloxyethyl]amino]ethoxycarbonyloxy]nonanedioate
CID 166099225
10-[5-[4-[3-(diethylamino)propoxycarbonyloxy]hexadecoxy]-5-oxopentyl]nonadecanedioic acid
CID 175865053
2-[2-(diethylamino)ethyl-[2-[1-(2-hexyldecoxy)-1-oxoundecan-5-yl]oxycarbonyloxyethyl]amino]ethyl dodecanoate
CID 153372689

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid?
The IUPAC name of 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid (CID 174191624) is 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid.
What is the SMILES notation for 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid?
The canonical SMILES for 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid is CCCCCC(CCCCCCCCC(=O)O)OC(=O)OCCN(CCO)CCN(CC)CC.
What is the InChIKey of 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid?
The InChIKey is GTSDUPUASPRLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O6/c1-4-7-12-15-24(16-13-10-8-9-11-14-17-25(30)31)34-26(32)33-23-21-28(20-22-29)19-18-27(5-2)6-3/h24,29H,4-23H2,1-3H3,(H,30,31).
What are the key properties of 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid?
10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid has a molecular weight of 488.71 g/mol, XLogP of 4.93, 24 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(diethylamino)ethyl-(2-hydroxyethyl)amino]ethoxycarbonyloxy]pentadecanoic acid is sourced from PubChem (CID 174191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).