2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide

C26H36N2O4 — CID 3076082

IUPAC2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide
SMILESO=C(NCCCCCCCCCCCCNC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C26H36N2O4/c29-23-17-11-9-15-21(23)25(31)27-19-13-7-5-3-1-2-4-6-8-14-20-28-26(32)22-16-10-12-18-24(22)30/h9-12,15-18,29-30H,1-8,13-14,19-20H2,(H,27,31)(H,28,32)
InChIKeyVLPUEXPCAHSTEB-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.16
Rot. Bonds15

About 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide

2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide (PubChem CID 3076082) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide
PubChem CID3076082
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide
SMILESO=C(NCCCCCCCCCCCCNC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C26H36N2O4/c29-23-17-11-9-15-21(23)25(31)27-19-13-7-5-3-1-2-4-6-8-14-20-28-26(32)22-16-10-12-18-24(22)30/h9-12,15-18,29-30H,1-8,13-14,19-20H2,(H,27,31)(H,28,32)
InChIKeyVLPUEXPCAHSTEB-UHFFFAOYSA-N
XLogP5.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.16
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-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide?
The IUPAC name of 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide (CID 3076082) is 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide is O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide?
The InChIKey is VLPUEXPCAHSTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c29-23-17-11-9-15-21(23)25(31)27-19-13-7-5-3-1-2-4-6-8-14-20-28-26(32)22-16-10-12-18-24(22)30/h9-12,15-18,29-30H,1-8,13-14,19-20H2,(H,27,31)(H,28,32).
What are the key properties of 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide?
2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide has a molecular weight of 440.58 g/mol, XLogP of 5.16, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[12-[(2-hydroxybenzoyl)amino]dodecyl]benzamide is sourced from PubChem (CID 3076082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).