heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

C23H40F5NO3 — CID 91730572

IUPACheptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)19-29(2)21(31)22(24,25)23(26,27)28/h3-19H2,1-2H3
InChIKeyPXDKOQBLZXPDSQ-UHFFFAOYSA-N
MW473.57 g/mol
LogP7.06
Rot. Bonds19

About heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (PubChem CID 91730572) has the molecular formula C23H40F5NO3 and a molecular weight of 473.57 g/mol. Its IUPAC name is heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Nameheptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
PubChem CID91730572
Molecular FormulaC23H40F5NO3
Molecular Weight473.57 g/mol
Exact Mass473.29
IUPAC Nameheptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)19-29(2)21(31)22(24,25)23(26,27)28/h3-19H2,1-2H3
InChIKeyPXDKOQBLZXPDSQ-UHFFFAOYSA-N
XLogP7.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sarcosine, n-pentafluoropropionyl-, heptyl ester
CID 91730488
Sarcosine, n-pentafluoropropionyl-, hexyl ester
CID 91730511
Sarcosine, n-pentafluoropropionyl-, tetradecyl ester
CID 91730565
Sarcosine, n-pentafluoropropionyl-, dodecyl ester
CID 91730566
Sarcosine, n-pentafluoropropionyl-, pentadecyl ester
CID 91730567
Sarcosine, n-pentafluoropropionyl-, hexadecyl ester
CID 91730571
Sarcosine, n-pentafluoropropionyl-, octadecyl ester
CID 91730573
Sarcosine, n-heptafluorobutyryl-, heptyl ester
CID 91737551
Sarcosine, n-heptafluorobutyryl-, pentyl ester
CID 91737639
Sarcosine, n-heptafluorobutyryl-, pentadecyl ester
CID 91737662
Sarcosine, n-heptafluorobutyryl-, heptadecyl ester
CID 91737663
Sarcosine, n-heptafluorobutyryl-, octadecyl ester
CID 91737664

Frequently Asked Questions

What is the IUPAC name of heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The IUPAC name of heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (CID 91730572) is heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.
What is the SMILES notation for heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The canonical SMILES for heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The InChIKey is PXDKOQBLZXPDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)19-29(2)21(31)22(24,25)23(26,27)28/h3-19H2,1-2H3.
What are the key properties of heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate has a molecular weight of 473.57 g/mol, XLogP of 7.06, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is sourced from PubChem (CID 91730572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).