N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide

C21H21NO3 — CID 22986821

IUPACN-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide
SMILESO=C(NO)c1ccc(CCCC(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c23-20(19-13-12-16-5-1-2-6-18(16)14-19)7-3-4-15-8-10-17(11-9-15)21(24)22-25/h1-2,5-6,8-14,20,23,25H,3-4,7H2,(H,22,24)
InChIKeyIIUVWDIYBNYJCD-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.02
Rot. Bonds6

About N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide

N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide (PubChem CID 22986821) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide
PubChem CID22986821
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide
SMILESO=C(NO)c1ccc(CCCC(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c23-20(19-13-12-16-5-1-2-6-18(16)14-19)7-3-4-15-8-10-17(11-9-15)21(24)22-25/h1-2,5-6,8-14,20,23,25H,3-4,7H2,(H,22,24)
InChIKeyIIUVWDIYBNYJCD-UHFFFAOYSA-N
XLogP4.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide?
The IUPAC name of N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide (CID 22986821) is N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide?
The canonical SMILES for N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide is O=C(NO)c1ccc(CCCC(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide?
The InChIKey is IIUVWDIYBNYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(19-13-12-16-5-1-2-6-18(16)14-19)7-3-4-15-8-10-17(11-9-15)21(24)22-25/h1-2,5-6,8-14,20,23,25H,3-4,7H2,(H,22,24).
What are the key properties of N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide?
N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide has a molecular weight of 335.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-hydroxy-4-naphthalen-2-ylbutyl)benzamide is sourced from PubChem (CID 22986821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).