ethyl 2-(4-methylundecan-4-ylamino)acetate

C16H33NO2 — CID 130356157

IUPACethyl 2-(4-methylundecan-4-ylamino)acetate
SMILESCCCCCCCC(C)(CCC)NCC(=O)OCC
InChIInChI=1S/C16H33NO2/c1-5-8-9-10-11-13-16(4,12-6-2)17-14-15(18)19-7-3/h17H,5-14H2,1-4H3
InChIKeyUDTYBVRIFIULHG-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.06
Rot. Bonds12

About ethyl 2-(4-methylundecan-4-ylamino)acetate

ethyl 2-(4-methylundecan-4-ylamino)acetate (PubChem CID 130356157) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is ethyl 2-(4-methylundecan-4-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylundecan-4-ylamino)acetate
PubChem CID130356157
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Nameethyl 2-(4-methylundecan-4-ylamino)acetate
SMILESCCCCCCCC(C)(CCC)NCC(=O)OCC
InChIInChI=1S/C16H33NO2/c1-5-8-9-10-11-13-16(4,12-6-2)17-14-15(18)19-7-3/h17H,5-14H2,1-4H3
InChIKeyUDTYBVRIFIULHG-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylundecan-4-ylamino)acetate?
The IUPAC name of ethyl 2-(4-methylundecan-4-ylamino)acetate (CID 130356157) is ethyl 2-(4-methylundecan-4-ylamino)acetate.
What is the SMILES notation for ethyl 2-(4-methylundecan-4-ylamino)acetate?
The canonical SMILES for ethyl 2-(4-methylundecan-4-ylamino)acetate is CCCCCCCC(C)(CCC)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(4-methylundecan-4-ylamino)acetate?
The InChIKey is UDTYBVRIFIULHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-8-9-10-11-13-16(4,12-6-2)17-14-15(18)19-7-3/h17H,5-14H2,1-4H3.
What are the key properties of ethyl 2-(4-methylundecan-4-ylamino)acetate?
ethyl 2-(4-methylundecan-4-ylamino)acetate has a molecular weight of 271.44 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylundecan-4-ylamino)acetate is sourced from PubChem (CID 130356157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).