(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide

C18H28N2O2 — CID 94855865

IUPAC(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide
SMILESCCCCCCC[C@@H](O)CCC(=O)N/N=C\c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-9-12-17(21)13-14-18(22)20-19-15-16-10-7-6-8-11-16/h6-8,10-11,15,17,21H,2-5,9,12-14H2,1H3,(H,20,22)/b19-15-/t17-/m1/s1
InChIKeyIDOXIXHGVVUGCO-JFPYRBRCSA-N
MW304.43 g/mol
LogP3.64
Rot. Bonds11

About (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide

(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide (PubChem CID 94855865) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide.

Molecular Properties

Compound Name(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide
PubChem CID94855865
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide
SMILESCCCCCCC[C@@H](O)CCC(=O)N/N=C\c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-9-12-17(21)13-14-18(22)20-19-15-16-10-7-6-8-11-16/h6-8,10-11,15,17,21H,2-5,9,12-14H2,1H3,(H,20,22)/b19-15-/t17-/m1/s1
InChIKeyIDOXIXHGVVUGCO-JFPYRBRCSA-N
XLogP3.64
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-benzylideneamino]butanamide
CID 6872028
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide?
The IUPAC name of (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide (CID 94855865) is (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide.
What is the SMILES notation for (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide?
The canonical SMILES for (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide is CCCCCCC[C@@H](O)CCC(=O)N/N=C\c1ccccc1.
What is the InChIKey of (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide?
The InChIKey is IDOXIXHGVVUGCO-JFPYRBRCSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-4-5-9-12-17(21)13-14-18(22)20-19-15-16-10-7-6-8-11-16/h6-8,10-11,15,17,21H,2-5,9,12-14H2,1H3,(H,20,22)/b19-15-/t17-/m1/s1.
What are the key properties of (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide?
(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide has a molecular weight of 304.43 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide is sourced from PubChem (CID 94855865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).