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

C22H43NO3 — CID 91692179

IUPACpentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C22H43NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21(24)19-23(4)22(25)20(2)3/h20H,5-19H2,1-4H3
InChIKeyQAHJGYDUMHZQBG-UHFFFAOYSA-N
MW369.59 g/mol
LogP5.74
Rot. Bonds17

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

pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate (PubChem CID 91692179) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate.

Molecular Properties

Compound Namepentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate
PubChem CID91692179
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Namepentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C22H43NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21(24)19-23(4)22(25)20(2)3/h20H,5-19H2,1-4H3
InChIKeyQAHJGYDUMHZQBG-UHFFFAOYSA-N
XLogP5.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.74
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 pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The IUPAC name of pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate (CID 91692179) is pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate.
What is the SMILES notation for pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The canonical SMILES for pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate is CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(C)C.
What is the InChIKey of pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
The InChIKey is QAHJGYDUMHZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21(24)19-23(4)22(25)20(2)3/h20H,5-19H2,1-4H3.
What are the key properties of pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate?
pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate has a molecular weight of 369.59 g/mol, XLogP of 5.74, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecyl 2-[methyl(2-methylpropanoyl)amino]acetate is sourced from PubChem (CID 91692179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).