tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate

C21H41NO3 — CID 91692181

IUPACtetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C21H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-22(4)21(24)19(2)3/h19H,5-18H2,1-4H3
InChIKeyXSPARGVZEQSIPS-UHFFFAOYSA-N
MW355.56 g/mol
LogP5.35
Rot. Bonds16

About tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate

tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate (PubChem CID 91692181) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate
PubChem CID91692181
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC Nametetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C21H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-22(4)21(24)19(2)3/h19H,5-18H2,1-4H3
InChIKeyXSPARGVZEQSIPS-UHFFFAOYSA-N
XLogP5.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.56
LogP ≤ 55.35
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

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-, heptadecyl ester
CID 91730572
Sarcosine, n-pentafluoropropionyl-, octadecyl ester
CID 91730573
Sarcosine, n-heptafluorobutyryl-, pentadecyl ester
CID 91737662
Sarcosine, n-heptafluorobutyryl-, heptadecyl ester
CID 91737663
Sarcosine, n-heptafluorobutyryl-, octadecyl ester
CID 91737664
Sarcosine, n-heptafluorobutyryl-, tetradecyl ester
CID 91737669
Sarcosine, n-heptafluorobutyryl-, hexadecyl ester
CID 91737670
Dodecyl-2-(2-oxopyrrolidin-1-yl)acetate
CID 10267479

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The IUPAC name of tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate (CID 91692181) is tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate is CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C.
What is the InChIKey of tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The InChIKey is XSPARGVZEQSIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-22(4)21(24)19(2)3/h19H,5-18H2,1-4H3.
What are the key properties of tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate has a molecular weight of 355.56 g/mol, XLogP of 5.35, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[methyl(2-methylpropanoyl)amino]acetate is sourced from PubChem (CID 91692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).