N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide

C24H45NO4 — CID 91520523

IUPACN-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide
SMILESCCCCCC=CCC=CCCCCCCCCN(CC(O)CO)C(=O)C(C)O
InChIInChI=1S/C24H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(20-23(28)21-26)24(29)22(2)27/h7-8,10-11,22-23,26-28H,3-6,9,12-21H2,1-2H3
InChIKeyTZPSXKDAVGHVFI-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.36
Rot. Bonds19

About N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide

N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide (PubChem CID 91520523) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide
PubChem CID91520523
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC NameN-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide
SMILESCCCCCC=CCC=CCCCCCCCCN(CC(O)CO)C(=O)C(C)O
InChIInChI=1S/C24H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(20-23(28)21-26)24(29)22(2)27/h7-8,10-11,22-23,26-28H,3-6,9,12-21H2,1-2H3
InChIKeyTZPSXKDAVGHVFI-UHFFFAOYSA-N
XLogP4.36
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide 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

N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
CID 10150593
3-[bis(octadeca-9,12-dienyl)amino]propane-1,2-diol
CID 76710397
N-(2,3-dihydroxypropyl)-3-ethyl-N-icos-8-enyloctanamide
CID 54159399
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
[(9Z,12Z)-octadeca-9,12-dienyl]-octylcarbamic acid
CID 118057935
3-[2,3-dihydroxypropyl-[(E)-undec-4-enyl]amino]propane-1,2-diol
CID 101275334
(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;propane-1,2,3-triol
CID 175437080
(9Z,12Z)-octadeca-9,12-dienoic acid;bis(propane-1,2,3-triol)
CID 170352418
N-(2,3-dihydroxypropyl)-3-ethyl-N-hexadec-1-enyl-2-methyloctanamide;N-(2,3-dihydroxypropyl)-3-ethyl-N-icos-8-enyloctanamide
CID 173348990
(9Z,12Z)-2,2-bis(2,3-dihydroxypropyl)octadeca-9,12-dienoic acid
CID 88550484
1-amino-3-[5-[(3-amino-2-hydroxypropyl)-[(9E,12E)-octadeca-9,12-dienyl]amino]pentyl-[(9E,12Z)-octadeca-9,12-dienyl]amino]propan-2-ol
CID 155602039
(Z)-docos-13-enoic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 175940096

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide (CID 91520523) is N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide is CCCCCC=CCC=CCCCCCCCCN(CC(O)CO)C(=O)C(C)O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide?
The InChIKey is TZPSXKDAVGHVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(20-23(28)21-26)24(29)22(2)27/h7-8,10-11,22-23,26-28H,3-6,9,12-21H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide?
N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide has a molecular weight of 411.63 g/mol, XLogP of 4.36, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide is sourced from PubChem (CID 91520523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).