undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate

C21H30FNO3 — CID 6424547

IUPACundec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1F
InChIInChI=1S/C21H30FNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h3,11-12,14-15,17H,1,4-10,13,16H2,2H3,(H,23,24)
InChIKeyNWWNRGPFTMOOMD-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.79
Rot. Bonds13

About undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate

undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate (PubChem CID 6424547) has the molecular formula C21H30FNO3 and a molecular weight of 363.47 g/mol. Its IUPAC name is undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate
PubChem CID6424547
Molecular FormulaC21H30FNO3
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Nameundec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1F
InChIInChI=1S/C21H30FNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h3,11-12,14-15,17H,1,4-10,13,16H2,2H3,(H,23,24)
InChIKeyNWWNRGPFTMOOMD-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

undec-10-enyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425548
2-fluoro-N-[(2S)-non-8-en-2-yl]benzamide
CID 151103290
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
hexadecyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425550
undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
CID 6423188
dec-9-enyl N-(1-phenylethyl)carbamate
CID 596192
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate?
The IUPAC name of undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate (CID 6424547) is undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate?
The canonical SMILES for undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1F.
What is the InChIKey of undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate?
The InChIKey is NWWNRGPFTMOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h3,11-12,14-15,17H,1,4-10,13,16H2,2H3,(H,23,24).
What are the key properties of undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate?
undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate has a molecular weight of 363.47 g/mol, XLogP of 4.79, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 6424547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).