octyl 3-(octanoylamino)propanoate

C19H37NO3 — CID 18625131

IUPACoctyl 3-(octanoylamino)propanoate
SMILESCCCCCCCCOC(=O)CCNC(=O)CCCCCCC
InChIInChI=1S/C19H37NO3/c1-3-5-7-9-11-13-17-23-19(22)15-16-20-18(21)14-12-10-8-6-4-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyDAJDGOYHLCLAAJ-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.76
Rot. Bonds16

About octyl 3-(octanoylamino)propanoate

octyl 3-(octanoylamino)propanoate (PubChem CID 18625131) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is octyl 3-(octanoylamino)propanoate.

Molecular Properties

Compound Nameoctyl 3-(octanoylamino)propanoate
PubChem CID18625131
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Nameoctyl 3-(octanoylamino)propanoate
SMILESCCCCCCCCOC(=O)CCNC(=O)CCCCCCC
InChIInChI=1S/C19H37NO3/c1-3-5-7-9-11-13-17-23-19(22)15-16-20-18(21)14-12-10-8-6-4-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyDAJDGOYHLCLAAJ-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.76
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-(1-Hydroxymethyl-1-methyl-2-stearoyloxyethyl)stearamide
CID 44151141
Octadecanoic acid, 2-[(1-oxooctadecyl)amino]ethyl ester
CID 84377
Hexanoic acid, 6-(acetylamino)-, ethyl ester
CID 15881002
ethyl (6S)-6-(2-oxohexadecanoylamino)decanoate
CID 44562726
[1-Methoxy-3-(octanoylamino)propan-2-yl] octanoate
CID 71449943
6-Aminocaproic acid, N-ethoxycarbonyl-, dodecyl ester
CID 44410219
N-lauroyl glycine lauryl ester
CID 10251843
beta-Alanine, N-caproyl-, ethyl ester
CID 46835677
Methyl 3-dodecanamidopropanoate
CID 23135886
Methyl 3-tetradecanamidopropanoate
CID 44548744
2-(Pentadecanoylamino)hexadecyl pentadecanoate
CID 44322311
2-(Pentadecanoylamino)hexadecyl heptanoate
CID 44322362

Frequently Asked Questions

What is the IUPAC name of octyl 3-(octanoylamino)propanoate?
The IUPAC name of octyl 3-(octanoylamino)propanoate (CID 18625131) is octyl 3-(octanoylamino)propanoate.
What is the SMILES notation for octyl 3-(octanoylamino)propanoate?
The canonical SMILES for octyl 3-(octanoylamino)propanoate is CCCCCCCCOC(=O)CCNC(=O)CCCCCCC.
What is the InChIKey of octyl 3-(octanoylamino)propanoate?
The InChIKey is DAJDGOYHLCLAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-5-7-9-11-13-17-23-19(22)15-16-20-18(21)14-12-10-8-6-4-2/h3-17H2,1-2H3,(H,20,21).
What are the key properties of octyl 3-(octanoylamino)propanoate?
octyl 3-(octanoylamino)propanoate has a molecular weight of 327.51 g/mol, XLogP of 4.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 3-(octanoylamino)propanoate is sourced from PubChem (CID 18625131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).