dodecyl 2-(dodecanoylamino)acetate

C26H51NO3 — CID 10251843

IUPACdodecyl 2-(dodecanoylamino)acetate
SMILESCCCCCCCCCCCCOC(=O)CNC(=O)CCCCCCCCCCC
InChIInChI=1S/C26H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-30-26(29)24-27-25(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,28)
InChIKeyJHNAUQLUKSVBKZ-UHFFFAOYSA-N
MW425.70 g/mol
LogP7.49
Rot. Bonds23

About dodecyl 2-(dodecanoylamino)acetate

dodecyl 2-(dodecanoylamino)acetate (PubChem CID 10251843) has the molecular formula C26H51NO3 and a molecular weight of 425.70 g/mol. Its IUPAC name is dodecyl 2-(dodecanoylamino)acetate.

Molecular Properties

Compound Namedodecyl 2-(dodecanoylamino)acetate
PubChem CID10251843
Molecular FormulaC26H51NO3
Molecular Weight425.70 g/mol
Exact Mass425.39
IUPAC Namedodecyl 2-(dodecanoylamino)acetate
SMILESCCCCCCCCCCCCOC(=O)CNC(=O)CCCCCCCCCCC
InChIInChI=1S/C26H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-30-26(29)24-27-25(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,28)
InChIKeyJHNAUQLUKSVBKZ-UHFFFAOYSA-N
XLogP7.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecanoyl-L-Homoserine lactone
CID 10221437
Octadecanoic acid, 2-[(1-oxooctadecyl)amino]ethyl ester
CID 84377
Hexadecanoylamino-acetic acid methyl ester
CID 10471679
Ceramide NS Dilaurate
CID 73425527
Quaternium-70
CID 111772
Palmitoyl myristyl serinate
CID 54485594
Dodecanoic acid, 1,1'-[[(1-oxododecyl)imino]di-2,1-ethanediyl] ester
CID 5181497
N-hexadecanoyl-L-Homoserine lactone
CID 11609787
N-octadecanoyl-L-Homoserine lactone
CID 69757690
N-Dodecanoyl-DL-homoserine lactone
CID 11565426
(S)-N-tetradecanoyl-HSL
CID 58122267
Distearyl lauroyl glutamate
CID 53660809

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(dodecanoylamino)acetate?
The IUPAC name of dodecyl 2-(dodecanoylamino)acetate (CID 10251843) is dodecyl 2-(dodecanoylamino)acetate.
What is the SMILES notation for dodecyl 2-(dodecanoylamino)acetate?
The canonical SMILES for dodecyl 2-(dodecanoylamino)acetate is CCCCCCCCCCCCOC(=O)CNC(=O)CCCCCCCCCCC.
What is the InChIKey of dodecyl 2-(dodecanoylamino)acetate?
The InChIKey is JHNAUQLUKSVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-30-26(29)24-27-25(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,28).
What are the key properties of dodecyl 2-(dodecanoylamino)acetate?
dodecyl 2-(dodecanoylamino)acetate has a molecular weight of 425.70 g/mol, XLogP of 7.49, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(dodecanoylamino)acetate is sourced from PubChem (CID 10251843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).