N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide

C28H25NO4 — CID 10296950

IUPACN-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)CCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1
InChIInChI=1S/C28H25NO4/c1-33-24-17-15-20(16-18-24)19-9-12-22(13-10-19)26(30)8-4-6-23-14-11-21-5-2-3-7-25(21)27(23)28(31)29-32/h2-3,5,7,9-18,32H,4,6,8H2,1H3,(H,29,31)
InChIKeyPQUSXSDPIZDHLP-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.84
Rot. Bonds8

About N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide

N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide (PubChem CID 10296950) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide
PubChem CID10296950
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC NameN-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)CCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1
InChIInChI=1S/C28H25NO4/c1-33-24-17-15-20(16-18-24)19-9-12-22(13-10-19)26(30)8-4-6-23-14-11-21-5-2-3-7-25(21)27(23)28(31)29-32/h2-3,5,7,9-18,32H,4,6,8H2,1H3,(H,29,31)
InChIKeyPQUSXSDPIZDHLP-UHFFFAOYSA-N
XLogP5.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide (CID 10296950) is N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide is COc1ccc(-c2ccc(C(=O)CCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide?
The InChIKey is PQUSXSDPIZDHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c1-33-24-17-15-20(16-18-24)19-9-12-22(13-10-19)26(30)8-4-6-23-14-11-21-5-2-3-7-25(21)27(23)28(31)29-32/h2-3,5,7,9-18,32H,4,6,8H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide?
N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(4-methoxyphenyl)phenyl]-4-oxobutyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10296950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).