tridecyl 2-[(4-ethylbenzoyl)amino]acetate

C24H39NO3 — CID 6422884

IUPACtridecyl 2-[(4-ethylbenzoyl)amino]acetate
SMILESCCCCCCCCCCCCCOC(=O)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C24H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-19-28-23(26)20-25-24(27)22-17-15-21(4-2)16-18-22/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)
InChIKeyAZGALJDFLCIWAC-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.83
Rot. Bonds16

About tridecyl 2-[(4-ethylbenzoyl)amino]acetate

tridecyl 2-[(4-ethylbenzoyl)amino]acetate (PubChem CID 6422884) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is tridecyl 2-[(4-ethylbenzoyl)amino]acetate.

Molecular Properties

Compound Nametridecyl 2-[(4-ethylbenzoyl)amino]acetate
PubChem CID6422884
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Nametridecyl 2-[(4-ethylbenzoyl)amino]acetate
SMILESCCCCCCCCCCCCCOC(=O)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C24H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-19-28-23(26)20-25-24(27)22-17-15-21(4-2)16-18-22/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)
InChIKeyAZGALJDFLCIWAC-UHFFFAOYSA-N
XLogP5.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.83
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

undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
dodecyl (2S)-2-[(4-ethylbenzoyl)amino]propanoate
CID 20836931
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
octyl 3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 91726390
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754

Frequently Asked Questions

What is the IUPAC name of tridecyl 2-[(4-ethylbenzoyl)amino]acetate?
The IUPAC name of tridecyl 2-[(4-ethylbenzoyl)amino]acetate (CID 6422884) is tridecyl 2-[(4-ethylbenzoyl)amino]acetate.
What is the SMILES notation for tridecyl 2-[(4-ethylbenzoyl)amino]acetate?
The canonical SMILES for tridecyl 2-[(4-ethylbenzoyl)amino]acetate is CCCCCCCCCCCCCOC(=O)CNC(=O)c1ccc(CC)cc1.
What is the InChIKey of tridecyl 2-[(4-ethylbenzoyl)amino]acetate?
The InChIKey is AZGALJDFLCIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-19-28-23(26)20-25-24(27)22-17-15-21(4-2)16-18-22/h15-18H,3-14,19-20H2,1-2H3,(H,25,27).
What are the key properties of tridecyl 2-[(4-ethylbenzoyl)amino]acetate?
tridecyl 2-[(4-ethylbenzoyl)amino]acetate has a molecular weight of 389.58 g/mol, XLogP of 5.83, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2-[(4-ethylbenzoyl)amino]acetate is sourced from PubChem (CID 6422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).