18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide

C44H80N2O4 — CID 101321590

IUPAC18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
SMILESO=C(CCCCCCCCCCCCCCCCCO)NCc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCO)cc1
InChIInChI=1S/C44H80N2O4/c47-37-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-43(49)45-39-41-33-35-42(36-34-41)40-46-44(50)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-38-48/h33-36,47-48H,1-32,37-40H2,(H,45,49)(H,46,50)
InChIKeyQDOZKAMOHAXGBJ-UHFFFAOYSA-N
MW701.13 g/mol
LogP11.39
Rot. Bonds38

About 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide

18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide (PubChem CID 101321590) has the molecular formula C44H80N2O4 and a molecular weight of 701.13 g/mol. Its IUPAC name is 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide.

Molecular Properties

Compound Name18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
PubChem CID101321590
Molecular FormulaC44H80N2O4
Molecular Weight701.13 g/mol
Exact Mass700.61
IUPAC Name18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
SMILESO=C(CCCCCCCCCCCCCCCCCO)NCc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCO)cc1
InChIInChI=1S/C44H80N2O4/c47-37-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-43(49)45-39-41-33-35-42(36-34-41)40-46-44(50)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-38-48/h33-36,47-48H,1-32,37-40H2,(H,45,49)(H,46,50)
InChIKeyQDOZKAMOHAXGBJ-UHFFFAOYSA-N
XLogP11.39
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.13
LogP ≤ 511.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
6-[[4-(hydroxymethyl)phenyl]methylamino]-6-oxohexanoic acid
CID 107229596
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide?
The IUPAC name of 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide (CID 101321590) is 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide.
What is the SMILES notation for 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide?
The canonical SMILES for 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide is O=C(CCCCCCCCCCCCCCCCCO)NCc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCO)cc1.
What is the InChIKey of 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide?
The InChIKey is QDOZKAMOHAXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H80N2O4/c47-37-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-43(49)45-39-41-33-35-42(36-34-41)40-46-44(50)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-38-48/h33-36,47-48H,1-32,37-40H2,(H,45,49)(H,46,50).
What are the key properties of 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide?
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide has a molecular weight of 701.13 g/mol, XLogP of 11.39, 38 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide is sourced from PubChem (CID 101321590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).