[octyl(propanoyloxy)amino] propanoate

C14H27NO4 — CID 87337944

IUPAC[octyl(propanoyloxy)amino] propanoate
SMILESCCCCCCCCN(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C14H27NO4/c1-4-7-8-9-10-11-12-15(18-13(16)5-2)19-14(17)6-3/h4-12H2,1-3H3
InChIKeyASXIZMLMLCLOAA-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.39
Rot. Bonds11

About [octyl(propanoyloxy)amino] propanoate

[octyl(propanoyloxy)amino] propanoate (PubChem CID 87337944) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is [octyl(propanoyloxy)amino] propanoate.

Molecular Properties

Compound Name[octyl(propanoyloxy)amino] propanoate
PubChem CID87337944
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name[octyl(propanoyloxy)amino] propanoate
SMILESCCCCCCCCN(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C14H27NO4/c1-4-7-8-9-10-11-12-15(18-13(16)5-2)19-14(17)6-3/h4-12H2,1-3H3
InChIKeyASXIZMLMLCLOAA-UHFFFAOYSA-N
XLogP3.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[6-methylheptyl(propanoyloxy)amino] propanoate
CID 169002985
(dibutylamino) propanoate
CID 154448533
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533
sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride
CID 174049590
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
8-[heptyl(propanoyloxy)amino]octyl 2-butyloctanoate
CID 166072902
CID 87839414
CID 87839414
[butanoyl(butyl)amino] propanoate
CID 156703523
[methyl(tridecyl)amino] acetate
CID 87650867

Frequently Asked Questions

What is the IUPAC name of [octyl(propanoyloxy)amino] propanoate?
The IUPAC name of [octyl(propanoyloxy)amino] propanoate (CID 87337944) is [octyl(propanoyloxy)amino] propanoate.
What is the SMILES notation for [octyl(propanoyloxy)amino] propanoate?
The canonical SMILES for [octyl(propanoyloxy)amino] propanoate is CCCCCCCCN(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [octyl(propanoyloxy)amino] propanoate?
The InChIKey is ASXIZMLMLCLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-7-8-9-10-11-12-15(18-13(16)5-2)19-14(17)6-3/h4-12H2,1-3H3.
What are the key properties of [octyl(propanoyloxy)amino] propanoate?
[octyl(propanoyloxy)amino] propanoate has a molecular weight of 273.37 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [octyl(propanoyloxy)amino] propanoate is sourced from PubChem (CID 87337944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).