methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate

C24H41NO6 — CID 168970083

IUPACmethyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
SMILESCOC(=O)CCCCCOCCOCCOCCCCCCOc1cccc(CN)c1
InChIInChI=1S/C24H41NO6/c1-27-24(26)12-5-4-7-14-29-17-19-30-18-16-28-13-6-2-3-8-15-31-23-11-9-10-22(20-23)21-25/h9-11,20H,2-8,12-19,21,25H2,1H3
InChIKeyQUZJXJMHHYICJJ-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.87
Rot. Bonds21

About methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate

methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate (PubChem CID 168970083) has the molecular formula C24H41NO6 and a molecular weight of 439.59 g/mol. Its IUPAC name is methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate.

Molecular Properties

Compound Namemethyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
PubChem CID168970083
Molecular FormulaC24H41NO6
Molecular Weight439.59 g/mol
Exact Mass439.29
IUPAC Namemethyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
SMILESCOC(=O)CCCCCOCCOCCOCCCCCCOc1cccc(CN)c1
InChIInChI=1S/C24H41NO6/c1-27-24(26)12-5-4-7-14-29-17-19-30-18-16-28-13-6-2-3-8-15-31-23-11-9-10-22(20-23)21-25/h9-11,20H,2-8,12-19,21,25H2,1H3
InChIKeyQUZJXJMHHYICJJ-UHFFFAOYSA-N
XLogP3.87
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 164593161
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
methyl 7-[3-(bromomethyl)phenoxy]heptanoate
CID 169093591
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
methyl 4-[2-[2-[6-[3-[(1S)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]butanoate
CID 164593088
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
CID 10400711
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
2-[3-[5-[3-(aminomethyl)phenoxy]pentoxy]propoxy]acetic acid;hydrochloride
CID 168970123
methyl 6-[3-[2-(diethylamino)-2-oxoethyl]phenoxy]hexanoate
CID 91465715
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate?
The IUPAC name of methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate (CID 168970083) is methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate.
What is the SMILES notation for methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate?
The canonical SMILES for methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate is COC(=O)CCCCCOCCOCCOCCCCCCOc1cccc(CN)c1.
What is the InChIKey of methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate?
The InChIKey is QUZJXJMHHYICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO6/c1-27-24(26)12-5-4-7-14-29-17-19-30-18-16-28-13-6-2-3-8-15-31-23-11-9-10-22(20-23)21-25/h9-11,20H,2-8,12-19,21,25H2,1H3.
What are the key properties of methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate?
methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate has a molecular weight of 439.59 g/mol, XLogP of 3.87, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate is sourced from PubChem (CID 168970083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).