2-[di(propan-2-yl)amino]ethyl hexadecanoate

C24H49NO2 — CID 54190007

IUPAC2-[di(propan-2-yl)amino]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCN(C(C)C)C(C)C
InChIInChI=1S/C24H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3
InChIKeyPHVPABWEYHCULX-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.13
Rot. Bonds19

About 2-[di(propan-2-yl)amino]ethyl hexadecanoate

2-[di(propan-2-yl)amino]ethyl hexadecanoate (PubChem CID 54190007) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl hexadecanoate.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl hexadecanoate
PubChem CID54190007
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name2-[di(propan-2-yl)amino]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCN(C(C)C)C(C)C
InChIInChI=1S/C24H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3
InChIKeyPHVPABWEYHCULX-UHFFFAOYSA-N
XLogP7.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
CID 162060227
2-[2-aminopropanoyl(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 176872784
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310
dodecyl undecanoate
CID 56935973
tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
CID 175691785
dioctyl dodecanedioate
CID 3016341
heptadecyl hentriacontanoate
CID 168953452

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl hexadecanoate?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl hexadecanoate (CID 54190007) is 2-[di(propan-2-yl)amino]ethyl hexadecanoate.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl hexadecanoate?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl hexadecanoate?
The InChIKey is PHVPABWEYHCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25(22(2)3)23(4)5/h22-23H,6-21H2,1-5H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl hexadecanoate?
2-[di(propan-2-yl)amino]ethyl hexadecanoate has a molecular weight of 383.66 g/mol, XLogP of 7.13, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl hexadecanoate is sourced from PubChem (CID 54190007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).