2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid

C17H27NO7 — CID 58687735

IUPAC2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
SMILESCNCCOCCOc1ccc(OCCOCCOCC(=O)O)cc1
InChIInChI=1S/C17H27NO7/c1-18-6-7-21-10-12-24-15-2-4-16(5-3-15)25-13-11-22-8-9-23-14-17(19)20/h2-5,18H,6-14H2,1H3,(H,19,20)
InChIKeyAHSDBPRZFPNNLL-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.80
Rot. Bonds16

About 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid (PubChem CID 58687735) has the molecular formula C17H27NO7 and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
PubChem CID58687735
Molecular FormulaC17H27NO7
Molecular Weight357.40 g/mol
Exact Mass357.18
IUPAC Name2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
SMILESCNCCOCCOc1ccc(OCCOCCOCC(=O)O)cc1
InChIInChI=1S/C17H27NO7/c1-18-6-7-21-10-12-24-15-2-4-16(5-3-15)25-13-11-22-8-9-23-14-17(19)20/h2-5,18H,6-14H2,1H3,(H,19,20)
InChIKeyAHSDBPRZFPNNLL-UHFFFAOYSA-N
XLogP0.80
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.80
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-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
N-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]phenyl]propanamide
CID 153330481
2-[2-[4-(3-oxobutan-2-yloxy)phenoxy]ethoxy]acetic acid
CID 59205630
2-[2-[2-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]acetic acid
CID 162027835
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen
CID 142365442
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226371
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226367
2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226365
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid (CID 58687735) is 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid is CNCCOCCOc1ccc(OCCOCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is AHSDBPRZFPNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO7/c1-18-6-7-21-10-12-24-15-2-4-16(5-3-15)25-13-11-22-8-9-23-14-17(19)20/h2-5,18H,6-14H2,1H3,(H,19,20).
What are the key properties of 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 357.40 g/mol, XLogP of 0.80, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 58687735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).