2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol

C20H43NO4 — CID 151926052

IUPAC2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCC(CCCN(CCO)CCO)C(C)(OC)OC
InChIInChI=1S/C20H43NO4/c1-5-6-7-8-9-10-12-19(20(2,24-3)25-4)13-11-14-21(15-17-22)16-18-23/h19,22-23H,5-18H2,1-4H3
InChIKeySXTVZWQIXVJKSC-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.43
Rot. Bonds18

About 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol

2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 151926052) has the molecular formula C20H43NO4 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
PubChem CID151926052
Molecular FormulaC20H43NO4
Molecular Weight361.57 g/mol
Exact Mass361.32
IUPAC Name2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCC(CCCN(CCO)CCO)C(C)(OC)OC
InChIInChI=1S/C20H43NO4/c1-5-6-7-8-9-10-12-19(20(2,24-3)25-4)13-11-14-21(15-17-22)16-18-23/h19,22-23H,5-18H2,1-4H3
InChIKeySXTVZWQIXVJKSC-UHFFFAOYSA-N
XLogP3.43
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
5-(1,1-dimethoxyethyl)nonane
CID 139962185
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
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
2-[4-[dodecyl-[2-[dodecyl(2-hydroxyethyl)amino]ethyl]amino]butyl]heptanoic acid
CID 129286366
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
2-[octadecyl(propyl)amino]ethanol
CID 151447456

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol (CID 151926052) is 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol is CCCCCCCCC(CCCN(CCO)CCO)C(C)(OC)OC.
What is the InChIKey of 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SXTVZWQIXVJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO4/c1-5-6-7-8-9-10-12-19(20(2,24-3)25-4)13-11-14-21(15-17-22)16-18-23/h19,22-23H,5-18H2,1-4H3.
What are the key properties of 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol?
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 361.57 g/mol, XLogP of 3.43, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 151926052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).