undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate

C21H32FNO3 — CID 91711919

IUPACundecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H32FNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3
InChIKeyDAMWILXBJNAKGD-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.97
Rot. Bonds13

About undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate

undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate (PubChem CID 91711919) has the molecular formula C21H32FNO3 and a molecular weight of 365.49 g/mol. Its IUPAC name is undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameundecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
PubChem CID91711919
Molecular FormulaC21H32FNO3
Molecular Weight365.49 g/mol
Exact Mass365.24
IUPAC Nameundecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H32FNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3
InChIKeyDAMWILXBJNAKGD-UHFFFAOYSA-N
XLogP4.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049

Frequently Asked Questions

What is the IUPAC name of undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate (CID 91711919) is undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate is CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
The InChIKey is DAMWILXBJNAKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3.
What are the key properties of undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate?
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate has a molecular weight of 365.49 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91711919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).