N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide

C26H53NO3 — CID 138961604

IUPACN-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCC
InChIInChI=1S/C26H53NO3/c1-3-5-7-9-11-12-13-14-16-18-20-22-26(30)27-24(23-28)25(29)21-19-17-15-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKeyQEENFPVDWIXKIL-LOSJGSFVSA-N
MW427.71 g/mol
LogP6.67
Rot. Bonds23

About N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide

N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide (PubChem CID 138961604) has the molecular formula C26H53NO3 and a molecular weight of 427.71 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide
PubChem CID138961604
Molecular FormulaC26H53NO3
Molecular Weight427.71 g/mol
Exact Mass427.40
IUPAC NameN-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCC
InChIInChI=1S/C26H53NO3/c1-3-5-7-9-11-12-13-14-16-18-20-22-26(30)27-24(23-28)25(29)21-19-17-15-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKeyQEENFPVDWIXKIL-LOSJGSFVSA-N
XLogP6.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ceramide 3
CID 9898642
Ceramide NG
CID 5283573
N-Palmitoyldihydrosphingomyelin
CID 9939965
SM(d18:0/14:0)
CID 44260138
12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
CID 193405
Hydroxypalmitoyl Sphinganine
CID 9959390
Ceramide AP
CID 44625889
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
N-(eicosanoyl)-sphinganine-1-phosphocholine
CID 44260131
SM(d18:0/22:0)
CID 44260132

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide (CID 138961604) is N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCC.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide?
The InChIKey is QEENFPVDWIXKIL-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H53NO3/c1-3-5-7-9-11-12-13-14-16-18-20-22-26(30)27-24(23-28)25(29)21-19-17-15-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide?
N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide has a molecular weight of 427.71 g/mol, XLogP of 6.67, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxydodecan-2-yl]tetradecanamide is sourced from PubChem (CID 138961604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).