2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate

C18H34N2O6 — CID 88547830

IUPAC2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate
SMILESCOCCOC(=O)CCCCCOC(=O)CCC(=O)NCCCN(C)C
InChIInChI=1S/C18H34N2O6/c1-20(2)12-7-11-19-16(21)9-10-18(23)25-13-6-4-5-8-17(22)26-15-14-24-3/h4-15H2,1-3H3,(H,19,21)
InChIKeyJBVPLEJCMYDZPU-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.13
Rot. Bonds16

About 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate

2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate (PubChem CID 88547830) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate.

Molecular Properties

Compound Name2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate
PubChem CID88547830
Molecular FormulaC18H34N2O6
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Name2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate
SMILESCOCCOC(=O)CCCCCOC(=O)CCC(=O)NCCCN(C)C
InChIInChI=1S/C18H34N2O6/c1-20(2)12-7-11-19-16(21)9-10-18(23)25-13-6-4-5-8-17(22)26-15-14-24-3/h4-15H2,1-3H3,(H,19,21)
InChIKeyJBVPLEJCMYDZPU-UHFFFAOYSA-N
XLogP1.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.13
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

N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
2-[4-(dimethylamino)butanoylamino]ethyl (Z)-octadec-9-enoate
CID 89285276
2-methoxyethyl 5-methoxypentanoate
CID 58454735
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
2-methoxyethyl 18-acetyloxyoctadecanoate
CID 22678997
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
[4-(octylamino)-4-oxobutyl] octadecanoate
CID 153438746
[6-oxo-6-(propylamino)hexyl] octanoate
CID 157347257
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
nonyl 8-[3-acetamidopropyl(methyl)amino]octanoate
CID 129232943
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate?
The IUPAC name of 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate (CID 88547830) is 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate.
What is the SMILES notation for 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate?
The canonical SMILES for 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate is COCCOC(=O)CCCCCOC(=O)CCC(=O)NCCCN(C)C.
What is the InChIKey of 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate?
The InChIKey is JBVPLEJCMYDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6/c1-20(2)12-7-11-19-16(21)9-10-18(23)25-13-6-4-5-8-17(22)26-15-14-24-3/h4-15H2,1-3H3,(H,19,21).
What are the key properties of 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate?
2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate has a molecular weight of 374.48 g/mol, XLogP of 1.13, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-[4-[3-(dimethylamino)propylamino]-4-oxobutanoyl]oxyhexanoate is sourced from PubChem (CID 88547830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).