methyl 2-(2-heptylundecylamino)acetate

C21H43NO2 — CID 158259283

IUPACmethyl 2-(2-heptylundecylamino)acetate
SMILESCCCCCCCCCC(CCCCCCC)CNCC(=O)OC
InChIInChI=1S/C21H43NO2/c1-4-6-8-10-11-13-15-17-20(16-14-12-9-7-5-2)18-22-19-21(23)24-3/h20,22H,4-19H2,1-3H3
InChIKeyGHRHGNOTYWEZTJ-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.87
Rot. Bonds18

About methyl 2-(2-heptylundecylamino)acetate

methyl 2-(2-heptylundecylamino)acetate (PubChem CID 158259283) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is methyl 2-(2-heptylundecylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-heptylundecylamino)acetate
PubChem CID158259283
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Namemethyl 2-(2-heptylundecylamino)acetate
SMILESCCCCCCCCCC(CCCCCCC)CNCC(=O)OC
InChIInChI=1S/C21H43NO2/c1-4-6-8-10-11-13-15-17-20(16-14-12-9-7-5-2)18-22-19-21(23)24-3/h20,22H,4-19H2,1-3H3
InChIKeyGHRHGNOTYWEZTJ-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
dimethyl 4-nonylheptanedioate
CID 168749478
methyl 3-ethyldecanoate
CID 154021576
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
methyl 4-pentylnonanoate
CID 177137762
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
methyl (3S)-3-aminotetradecanoate
CID 162514819
methyl 2-(2-methylpentylamino)acetate
CID 43200780
methyl 9-hydroxyoctadecanoate
CID 593159
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 4-hydroxyoctadecanoate
CID 559005
methyl (9R)-9-hydroxydocosanoate
CID 134814034

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-heptylundecylamino)acetate?
The IUPAC name of methyl 2-(2-heptylundecylamino)acetate (CID 158259283) is methyl 2-(2-heptylundecylamino)acetate.
What is the SMILES notation for methyl 2-(2-heptylundecylamino)acetate?
The canonical SMILES for methyl 2-(2-heptylundecylamino)acetate is CCCCCCCCCC(CCCCCCC)CNCC(=O)OC.
What is the InChIKey of methyl 2-(2-heptylundecylamino)acetate?
The InChIKey is GHRHGNOTYWEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-4-6-8-10-11-13-15-17-20(16-14-12-9-7-5-2)18-22-19-21(23)24-3/h20,22H,4-19H2,1-3H3.
What are the key properties of methyl 2-(2-heptylundecylamino)acetate?
methyl 2-(2-heptylundecylamino)acetate has a molecular weight of 341.58 g/mol, XLogP of 5.87, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-heptylundecylamino)acetate is sourced from PubChem (CID 158259283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).