3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide

C26H54N4O4 — CID 89162934

IUPAC3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide
SMILESCCCCCCCCCCCCC(C)NC(=O)CCN(CCC(N)=O)CCN(CCO)CCO
InChIInChI=1S/C26H54N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)28-26(34)15-17-29(16-14-25(27)33)18-19-30(20-22-31)21-23-32/h24,31-32H,3-23H2,1-2H3,(H2,27,33)(H,28,34)
InChIKeyPTKWCHGESBBJIG-UHFFFAOYSA-N
MW486.74 g/mol
LogP2.66
Rot. Bonds25

About 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide

3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide (PubChem CID 89162934) has the molecular formula C26H54N4O4 and a molecular weight of 486.74 g/mol. Its IUPAC name is 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide.

Molecular Properties

Compound Name3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide
PubChem CID89162934
Molecular FormulaC26H54N4O4
Molecular Weight486.74 g/mol
Exact Mass486.41
IUPAC Name3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide
SMILESCCCCCCCCCCCCC(C)NC(=O)CCN(CCC(N)=O)CCN(CCO)CCO
InChIInChI=1S/C26H54N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)28-26(34)15-17-29(16-14-25(27)33)18-19-30(20-22-31)21-23-32/h24,31-32H,3-23H2,1-2H3,(H2,27,33)(H,28,34)
InChIKeyPTKWCHGESBBJIG-UHFFFAOYSA-N
XLogP2.66
TPSA119.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.74
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 76960060
(2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 76956107
3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide
CID 89162835
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)propanoic acid
CID 86588604
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-dodecan-2-ylpropanamide
CID 174988669
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide
CID 170630599

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide?
The IUPAC name of 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide (CID 89162934) is 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide.
What is the SMILES notation for 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide?
The canonical SMILES for 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide is CCCCCCCCCCCCC(C)NC(=O)CCN(CCC(N)=O)CCN(CCO)CCO.
What is the InChIKey of 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide?
The InChIKey is PTKWCHGESBBJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)28-26(34)15-17-29(16-14-25(27)33)18-19-30(20-22-31)21-23-32/h24,31-32H,3-23H2,1-2H3,(H2,27,33)(H,28,34).
What are the key properties of 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide?
3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide has a molecular weight of 486.74 g/mol, XLogP of 2.66, 25 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide is sourced from PubChem (CID 89162934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).