3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide

C37H75N3O3 — CID 58105662

IUPAC3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCOC)CCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C37H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-38-36(41)28-32-40(34-35-43-3)33-29-37(42)39-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,38,41)(H,39,42)
InChIKeyDXQKDNZRFMORAG-UHFFFAOYSA-N
MW610.03 g/mol
LogP9.35
Rot. Bonds35

About 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide

3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide (PubChem CID 58105662) has the molecular formula C37H75N3O3 and a molecular weight of 610.03 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
PubChem CID58105662
Molecular FormulaC37H75N3O3
Molecular Weight610.03 g/mol
Exact Mass609.58
IUPAC Name3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCOC)CCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C37H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-38-36(41)28-32-40(34-35-43-3)33-29-37(42)39-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,38,41)(H,39,42)
InChIKeyDXQKDNZRFMORAG-UHFFFAOYSA-N
XLogP9.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.03
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide 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

3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide
CID 58566886
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
methane;3-methoxy-N-pentylpropanamide
CID 157319265
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The IUPAC name of 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide (CID 58105662) is 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide.
What is the SMILES notation for 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The canonical SMILES for 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)CCN(CCOC)CCC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The InChIKey is DXQKDNZRFMORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-38-36(41)28-32-40(34-35-43-3)33-29-37(42)39-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,38,41)(H,39,42).
What are the key properties of 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide has a molecular weight of 610.03 g/mol, XLogP of 9.35, 35 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide is sourced from PubChem (CID 58105662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).