N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide

C35H74N4O2 — CID 175589087

IUPACN-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)CCNCCCNCCN(C)CCO
InChIInChI=1S/C35H74N4O2/c1-4-6-8-10-12-14-15-17-19-21-24-34(23-20-18-16-13-11-9-7-5-2)33-38-35(41)25-28-36-26-22-27-37-29-30-39(3)31-32-40/h34,36-37,40H,4-33H2,1-3H3,(H,38,41)
InChIKeyAFZIYQHZSRRGDG-UHFFFAOYSA-N
MW583.00 g/mol
LogP7.44
Rot. Bonds34

About N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide

N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide (PubChem CID 175589087) has the molecular formula C35H74N4O2 and a molecular weight of 583.00 g/mol. Its IUPAC name is N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide.

Molecular Properties

Compound NameN-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide
PubChem CID175589087
Molecular FormulaC35H74N4O2
Molecular Weight583.00 g/mol
Exact Mass582.58
IUPAC NameN-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)CCNCCCNCCN(C)CCO
InChIInChI=1S/C35H74N4O2/c1-4-6-8-10-12-14-15-17-19-21-24-34(23-20-18-16-13-11-9-7-5-2)33-38-35(41)25-28-36-26-22-27-37-29-30-39(3)31-32-40/h34,36-37,40H,4-33H2,1-3H3,(H,38,41)
InChIKeyAFZIYQHZSRRGDG-UHFFFAOYSA-N
XLogP7.44
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.00
LogP ≤ 57.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]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

heptadecan-9-yl 8-[2-[2-hydroxyethyl(methyl)amino]ethylamino]octanoate
CID 166149192
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
4-oxo-N-(2-tetradecylhexadecyl)butanamide
CID 135292881
6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide
CID 169317754
N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
CID 58105699
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
3-(dimethylamino)-N-[(11Z,14Z)-2-[(Z)-heptadec-9-enyl]icosa-11,14-dienyl]propanamide
CID 130459049
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407

Frequently Asked Questions

What is the IUPAC name of N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide?
The IUPAC name of N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide (CID 175589087) is N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide.
What is the SMILES notation for N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide?
The canonical SMILES for N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide is CCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)CCNCCCNCCN(C)CCO.
What is the InChIKey of N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide?
The InChIKey is AFZIYQHZSRRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74N4O2/c1-4-6-8-10-12-14-15-17-19-21-24-34(23-20-18-16-13-11-9-7-5-2)33-38-35(41)25-28-36-26-22-27-37-29-30-39(3)31-32-40/h34,36-37,40H,4-33H2,1-3H3,(H,38,41).
What are the key properties of N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide?
N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide has a molecular weight of 583.00 g/mol, XLogP of 7.44, 34 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide is sourced from PubChem (CID 175589087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).