2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate

C19H37NO5 — CID 54196012

IUPAC2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate
SMILESCCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(O)CO
InChIInChI=1S/C19H37NO5/c1-3-4-5-6-7-8-9-10-11-12-18(23)20(2)14-13-19(24)25-16-17(22)15-21/h17,21-22H,3-16H2,1-2H3
InChIKeyPLVQXDCESDXRHP-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.65
Rot. Bonds16

About 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate

2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate (PubChem CID 54196012) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate
PubChem CID54196012
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Name2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate
SMILESCCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(O)CO
InChIInChI=1S/C19H37NO5/c1-3-4-5-6-7-8-9-10-11-12-18(23)20(2)14-13-19(24)25-16-17(22)15-21/h17,21-22H,3-16H2,1-2H3
InChIKeyPLVQXDCESDXRHP-UHFFFAOYSA-N
XLogP2.65
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl nonanoate;ethoxyethane
CID 87991117
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616
bis(2,3-di(hexanoyloxy)propyl hexanoate);2,3-dihydroxypropyl undecanoate;2,3-di(octanoyloxy)propyl octanoate
CID 174957733

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate?
The IUPAC name of 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate (CID 54196012) is 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate is CCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate?
The InChIKey is PLVQXDCESDXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5/c1-3-4-5-6-7-8-9-10-11-12-18(23)20(2)14-13-19(24)25-16-17(22)15-21/h17,21-22H,3-16H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate?
2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate has a molecular weight of 359.51 g/mol, XLogP of 2.65, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate is sourced from PubChem (CID 54196012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).