N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide

C27H23NO4 — CID 10273973

IUPACN-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)CCc3ccc4ccccc4c3C(=O)NO)cc2)cc1
InChIInChI=1S/C27H23NO4/c1-32-23-15-12-19(13-16-23)18-6-9-21(10-7-18)25(29)17-14-22-11-8-20-4-2-3-5-24(20)26(22)27(30)28-31/h2-13,15-16,31H,14,17H2,1H3,(H,28,30)
InChIKeySJEZCZDPHRGCGU-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.45
Rot. Bonds7

About N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide

N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide (PubChem CID 10273973) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide
PubChem CID10273973
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC NameN-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)CCc3ccc4ccccc4c3C(=O)NO)cc2)cc1
InChIInChI=1S/C27H23NO4/c1-32-23-15-12-19(13-16-23)18-6-9-21(10-7-18)25(29)17-14-22-11-8-20-4-2-3-5-24(20)26(22)27(30)28-31/h2-13,15-16,31H,14,17H2,1H3,(H,28,30)
InChIKeySJEZCZDPHRGCGU-UHFFFAOYSA-N
XLogP5.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.45
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-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide?
The IUPAC name of N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide (CID 10273973) is N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide is COc1ccc(-c2ccc(C(=O)CCc3ccc4ccccc4c3C(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide?
The InChIKey is SJEZCZDPHRGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-32-23-15-12-19(13-16-23)18-6-9-21(10-7-18)25(29)17-14-22-11-8-20-4-2-3-5-24(20)26(22)27(30)28-31/h2-13,15-16,31H,14,17H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide?
N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[4-(4-methoxyphenyl)phenyl]-3-oxopropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10273973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).