heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C17H32N2O6 — CID 91719245

IUPACheptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCOC
InChIInChI=1S/C17H32N2O6/c1-5-6-7-8-9-10-24-16(21)14-18(2)15(20)13-19(3)17(22)25-12-11-23-4/h5-14H2,1-4H3
InChIKeyWZLHXGITPUYBGQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.67
Rot. Bonds13

About heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 91719245) has the molecular formula C17H32N2O6 and a molecular weight of 360.45 g/mol. Its IUPAC name is heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameheptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID91719245
Molecular FormulaC17H32N2O6
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC Nameheptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCOC
InChIInChI=1S/C17H32N2O6/c1-5-6-7-8-9-10-24-16(21)14-18(2)15(20)13-19(3)17(22)25-12-11-23-4/h5-14H2,1-4H3
InChIKeyWZLHXGITPUYBGQ-UHFFFAOYSA-N
XLogP1.67
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91709608
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
hexyl 2-[methyl-[2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]acetyl]amino]acetate
CID 91745368

Frequently Asked Questions

What is the IUPAC name of heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 91719245) is heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCOC.
What is the InChIKey of heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is WZLHXGITPUYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O6/c1-5-6-7-8-9-10-24-16(21)14-18(2)15(20)13-19(3)17(22)25-12-11-23-4/h5-14H2,1-4H3.
What are the key properties of heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 360.45 g/mol, XLogP of 1.67, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 91719245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).