3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid

C20H21NO4 — CID 151295771

IUPAC3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C20H21NO4/c22-18-16(20(24)25)10-5-11-17(18)21-19(23)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,21,23)(H,24,25)
InChIKeyOBJIFWOLIPQLFH-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.39
Rot. Bonds4

About 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid

3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 151295771) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID151295771
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C20H21NO4/c22-18-16(20(24)25)10-5-11-17(18)21-19(23)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,21,23)(H,24,25)
InChIKeyOBJIFWOLIPQLFH-UHFFFAOYSA-N
XLogP4.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid (CID 151295771) is 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1cccc(C2CCCCC2)c1.
What is the InChIKey of 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is OBJIFWOLIPQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-18-16(20(24)25)10-5-11-17(18)21-19(23)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,21,23)(H,24,25).
What are the key properties of 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid?
3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 339.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexylbenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 151295771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).