24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide

C46H90N4O2 — CID 54149236

IUPAC24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide
SMILESNCC(CCCCCCCCC=CCCCCCCCCCCCC(N)=O)NCCCCCCCCC=CCCCCCCCCCCCC(N)=O
InChIInChI=1S/C46H90N4O2/c47-43-44(39-35-31-27-23-19-15-11-7-3-1-4-8-12-16-20-24-28-32-36-40-45(48)51)50-42-38-34-30-26-22-18-14-10-6-2-5-9-13-17-21-25-29-33-37-41-46(49)52/h3,6-7,10,44,50H,1-2,4-5,8-9,11-43,47H2,(H2,48,51)(H2,49,52)
InChIKeyOGOVHFTUQOVEFH-UHFFFAOYSA-N
MW731.25 g/mol
LogP12.42
Rot. Bonds44

About 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide

24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide (PubChem CID 54149236) has the molecular formula C46H90N4O2 and a molecular weight of 731.25 g/mol. Its IUPAC name is 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide.

Molecular Properties

Compound Name24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide
PubChem CID54149236
Molecular FormulaC46H90N4O2
Molecular Weight731.25 g/mol
Exact Mass730.71
IUPAC Name24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide
SMILESNCC(CCCCCCCCC=CCCCCCCCCCCCC(N)=O)NCCCCCCCCC=CCCCCCCCCCCCC(N)=O
InChIInChI=1S/C46H90N4O2/c47-43-44(39-35-31-27-23-19-15-11-7-3-1-4-8-12-16-20-24-28-32-36-40-45(48)51)50-42-38-34-30-26-22-18-14-10-6-2-5-9-13-17-21-25-29-33-37-41-46(49)52/h3,6-7,10,44,50H,1-2,4-5,8-9,11-43,47H2,(H2,48,51)(H2,49,52)
InChIKeyOGOVHFTUQOVEFH-UHFFFAOYSA-N
XLogP12.42
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.25
LogP ≤ 512.42
H-Bond Donors ≤ 54
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 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide 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

hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
icosa-8,12-dienediamide
CID 154110661
N-methyldodecan-1-amine;octadec-9-enamide
CID 173334466
octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
(9Z,28Z)-19-pentylheptatriaconta-9,28-dienediamide
CID 141048473
(Z)-18-butyldocos-9-enamide
CID 135362896
6-(diaminomethylamino)hexanamide
CID 135228414
1-aminopropan-2-ol;(Z)-octadec-9-enamide
CID 174925516
ethanamine;(Z)-octadec-9-enamide
CID 174881781

Frequently Asked Questions

What is the IUPAC name of 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide?
The IUPAC name of 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide (CID 54149236) is 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide.
What is the SMILES notation for 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide?
The canonical SMILES for 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide is NCC(CCCCCCCCC=CCCCCCCCCCCCC(N)=O)NCCCCCCCCC=CCCCCCCCCCCCC(N)=O.
What is the InChIKey of 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide?
The InChIKey is OGOVHFTUQOVEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H90N4O2/c47-43-44(39-35-31-27-23-19-15-11-7-3-1-4-8-12-16-20-24-28-32-36-40-45(48)51)50-42-38-34-30-26-22-18-14-10-6-2-5-9-13-17-21-25-29-33-37-41-46(49)52/h3,6-7,10,44,50H,1-2,4-5,8-9,11-43,47H2,(H2,48,51)(H2,49,52).
What are the key properties of 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide?
24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide has a molecular weight of 731.25 g/mol, XLogP of 12.42, 44 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide is sourced from PubChem (CID 54149236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).