dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C20H38N2O5 — CID 6421879

IUPACdodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C20H38N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-27-19(24)17-21(2)18(23)16-22(3)20(25)26-4/h5-17H2,1-4H3
InChIKeyOOJMZPVTPHUIDN-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.61
Rot. Bonds15

About dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 6421879) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namedodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID6421879
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Namedodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C20H38N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-27-19(24)17-21(2)18(23)16-22(3)20(25)26-4/h5-17H2,1-4H3
InChIKeyOOJMZPVTPHUIDN-UHFFFAOYSA-N
XLogP3.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91709608
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
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966
methyl N-hexyl-N-methylcarbamate
CID 14923771
octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692144
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 6421879) is dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC.
What is the InChIKey of dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is OOJMZPVTPHUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-27-19(24)17-21(2)18(23)16-22(3)20(25)26-4/h5-17H2,1-4H3.
What are the key properties of dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 386.53 g/mol, XLogP of 3.61, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 6421879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).