4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid

C24H41NO8 — CID 176755063

IUPAC4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
SMILESCCCCOCCOCCOCCOCCOCCOCCN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C24H41NO8/c1-3-4-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-25(2)23-7-5-22(6-8-23)24(26)27/h5-8H,3-4,9-21H2,1-2H3,(H,26,27)
InChIKeyPDRZXUCQWZQXCS-UHFFFAOYSA-N
MW471.59 g/mol
LogP2.72
Rot. Bonds23

About 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid

4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid (PubChem CID 176755063) has the molecular formula C24H41NO8 and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
PubChem CID176755063
Molecular FormulaC24H41NO8
Molecular Weight471.59 g/mol
Exact Mass471.28
IUPAC Name4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
SMILESCCCCOCCOCCOCCOCCOCCOCCN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C24H41NO8/c1-3-4-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-25(2)23-7-5-22(6-8-23)24(26)27/h5-8H,3-4,9-21H2,1-2H3,(H,26,27)
InChIKeyPDRZXUCQWZQXCS-UHFFFAOYSA-N
XLogP2.72
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251
4-N-(2-dodecoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 89150752
benzoic acid;1-pentoxypentane
CID 70815519
4-(2-butoxyethylsulfonyl)benzoic acid
CID 61483292
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
pentyl 4-[hexyl(methyl)amino]benzoate
CID 139769099
4-(dimethylamino)benzoic acid;ethoxyethane
CID 69006892
4-[2-cyclohexylethyl(methyl)amino]benzoic acid
CID 58347543
4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
4-[2-(3-methoxypropoxy)ethyl-methylamino]benzenecarbothioamide
CID 103179754
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid?
The IUPAC name of 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid (CID 176755063) is 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid.
What is the SMILES notation for 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid?
The canonical SMILES for 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid is CCCCOCCOCCOCCOCCOCCOCCN(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid?
The InChIKey is PDRZXUCQWZQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO8/c1-3-4-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-25(2)23-7-5-22(6-8-23)24(26)27/h5-8H,3-4,9-21H2,1-2H3,(H,26,27).
What are the key properties of 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid?
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid has a molecular weight of 471.59 g/mol, XLogP of 2.72, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid is sourced from PubChem (CID 176755063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).