2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide

C23H29N3O4 — CID 123133811

IUPAC2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide
SMILESCC(=O)NCCCCC(NC(C)=O)C(=O)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-16(27)24-15-7-6-10-21(25-17(2)28)23(30)26-20-13-11-19(12-14-20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,21-22,29H,6-7,10,15H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)
InChIKeyLQPDYJDXYAJVNA-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.52
Rot. Bonds10

About 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide

2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide (PubChem CID 123133811) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide.

Molecular Properties

Compound Name2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide
PubChem CID123133811
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide
SMILESCC(=O)NCCCCC(NC(C)=O)C(=O)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-16(27)24-15-7-6-10-21(25-17(2)28)23(30)26-20-13-11-19(12-14-20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,21-22,29H,6-7,10,15H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)
InChIKeyLQPDYJDXYAJVNA-UHFFFAOYSA-N
XLogP2.52
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide?
The IUPAC name of 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide (CID 123133811) is 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide.
What is the SMILES notation for 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide?
The canonical SMILES for 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide is CC(=O)NCCCCC(NC(C)=O)C(=O)Nc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide?
The InChIKey is LQPDYJDXYAJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(27)24-15-7-6-10-21(25-17(2)28)23(30)26-20-13-11-19(12-14-20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,21-22,29H,6-7,10,15H2,1-2H3,(H,24,27)(H,25,28)(H,26,30).
What are the key properties of 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide?
2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide has a molecular weight of 411.50 g/mol, XLogP of 2.52, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diacetamido-N-[4-[hydroxy(phenyl)methyl]phenyl]hexanamide is sourced from PubChem (CID 123133811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).