2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate

C18H37NO3 — CID 138394684

IUPAC2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
SMILESCCCCCCCCCCCCN(CCO)CCOC(C)=O
InChIInChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-19(14-16-20)15-17-22-18(2)21/h20H,3-17H2,1-2H3
InChIKeySIJIZNCBGCEVFB-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.76
Rot. Bonds16

About 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate

2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate (PubChem CID 138394684) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
PubChem CID138394684
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Name2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
SMILESCCCCCCCCCCCCN(CCO)CCOC(C)=O
InChIInChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-19(14-16-20)15-17-22-18(2)21/h20H,3-17H2,1-2H3
InChIKeySIJIZNCBGCEVFB-UHFFFAOYSA-N
XLogP3.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
CID 150039570
2-(dioctadecylamino)ethyl 3-[2-[[3-[2-(dioctadecylamino)ethoxy]-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propanoate
CID 168851339
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
CID 129286302

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate?
The IUPAC name of 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate (CID 138394684) is 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate.
What is the SMILES notation for 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate?
The canonical SMILES for 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate is CCCCCCCCCCCCN(CCO)CCOC(C)=O.
What is the InChIKey of 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate?
The InChIKey is SIJIZNCBGCEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-19(14-16-20)15-17-22-18(2)21/h20H,3-17H2,1-2H3.
What are the key properties of 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate?
2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate has a molecular weight of 315.50 g/mol, XLogP of 3.76, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate is sourced from PubChem (CID 138394684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).