3-(ethylamino)propyl octadecanoate

C23H47NO2 — CID 157471077

IUPAC3-(ethylamino)propyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCNCC
InChIInChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-22-19-21-24-4-2/h24H,3-22H2,1-2H3
InChIKeyQZBBKRYLPQLXLI-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.79
Rot. Bonds21

About 3-(ethylamino)propyl octadecanoate

3-(ethylamino)propyl octadecanoate (PubChem CID 157471077) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is 3-(ethylamino)propyl octadecanoate.

Molecular Properties

Compound Name3-(ethylamino)propyl octadecanoate
PubChem CID157471077
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Name3-(ethylamino)propyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCNCC
InChIInChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-22-19-21-24-4-2/h24H,3-22H2,1-2H3
InChIKeyQZBBKRYLPQLXLI-UHFFFAOYSA-N
XLogP6.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.79
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

2-(ethylamino)ethyl tetradecanoate
CID 22321443
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
heptyl 3-(ethylamino)propanoate
CID 62328311
nonyl 4-(nonylamino)butanoate
CID 142432007
3-(3-octadec-9-enoyloxypropylamino)propyl octadec-9-enoate
CID 123167253
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
10-O-octyl 1-O-pentyl decanedioate
CID 91729267
nonyl hexanoate
CID 576021
hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
CID 173164722
octadecyl hexadecanoate;octadecyl octadecanoate
CID 158008402
octacosyl tetracosanoate
CID 5320253
1-O-decyl 7-O-dodecyl heptanedioate
CID 91718463

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propyl octadecanoate?
The IUPAC name of 3-(ethylamino)propyl octadecanoate (CID 157471077) is 3-(ethylamino)propyl octadecanoate.
What is the SMILES notation for 3-(ethylamino)propyl octadecanoate?
The canonical SMILES for 3-(ethylamino)propyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCCNCC.
What is the InChIKey of 3-(ethylamino)propyl octadecanoate?
The InChIKey is QZBBKRYLPQLXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)26-22-19-21-24-4-2/h24H,3-22H2,1-2H3.
What are the key properties of 3-(ethylamino)propyl octadecanoate?
3-(ethylamino)propyl octadecanoate has a molecular weight of 369.63 g/mol, XLogP of 6.79, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propyl octadecanoate is sourced from PubChem (CID 157471077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).