N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide

C26H27NO4 — CID 177222127

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)c1cccc(O)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C26H27NO4/c1-16(2)22-12-7-13-23(17(3)4)24(22)27(25(30)18-8-5-10-20(28)14-18)26(31)19-9-6-11-21(29)15-19/h5-17,28-29H,1-4H3
InChIKeyDLGJPJRLRJVDCR-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.83
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide

N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide (PubChem CID 177222127) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
PubChem CID177222127
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)c1cccc(O)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C26H27NO4/c1-16(2)22-12-7-13-23(17(3)4)24(22)27(25(30)18-8-5-10-20(28)14-18)26(31)19-9-6-11-21(29)15-19/h5-17,28-29H,1-4H3
InChIKeyDLGJPJRLRJVDCR-UHFFFAOYSA-N
XLogP5.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide 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

1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-(3,5-ditert-butylphenyl)-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
CID 177222105
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
acetic acid;3-prop-1-en-2-ylphenol
CID 71365863
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide (CID 177222127) is N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide is CC(C)c1cccc(C(C)C)c1N(C(=O)c1cccc(O)c1)C(=O)c1cccc(O)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide?
The InChIKey is DLGJPJRLRJVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-16(2)22-12-7-13-23(17(3)4)24(22)27(25(30)18-8-5-10-20(28)14-18)26(31)19-9-6-11-21(29)15-19/h5-17,28-29H,1-4H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide?
N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide is sourced from PubChem (CID 177222127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).