2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide

C25H55N3O3 — CID 175210983

IUPAC2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
SMILESCCCCCCCCCCCCCCCCCCNCCC(N)=O.OCCNCCO
InChIInChI=1S/C21H44N2O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21(22)24;6-3-1-5-2-4-7/h23H,2-20H2,1H3,(H2,22,24);5-7H,1-4H2
InChIKeyKEBNMEJHXCQMSB-UHFFFAOYSA-N
MW445.73 g/mol
LogP4.27
Rot. Bonds24

About 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide

2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide (PubChem CID 175210983) has the molecular formula C25H55N3O3 and a molecular weight of 445.73 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
PubChem CID175210983
Molecular FormulaC25H55N3O3
Molecular Weight445.73 g/mol
Exact Mass445.42
IUPAC Name2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
SMILESCCCCCCCCCCCCCCCCCCNCCC(N)=O.OCCNCCO
InChIInChI=1S/C21H44N2O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21(22)24;6-3-1-5-2-4-7/h23H,2-20H2,1H3,(H2,22,24);5-7H,1-4H2
InChIKeyKEBNMEJHXCQMSB-UHFFFAOYSA-N
XLogP4.27
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.73
LogP ≤ 54.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
3-(5-hydroxypentylamino)propanamide
CID 62227149
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
4-(propylamino)butanamide
CID 21468794

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide (CID 175210983) is 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide is CCCCCCCCCCCCCCCCCCNCCC(N)=O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide?
The InChIKey is KEBNMEJHXCQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21(22)24;6-3-1-5-2-4-7/h23H,2-20H2,1H3,(H2,22,24);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide?
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide has a molecular weight of 445.73 g/mol, XLogP of 4.27, 24 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide is sourced from PubChem (CID 175210983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).