N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide

C20H18N2O4 — CID 11473559

IUPACN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18N2O4/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)21-11-12-26-18-9-7-15(8-10-18)20(24)22-25/h1-10,13,25H,11-12H2,(H,21,23)(H,22,24)
InChIKeyFLUQXAAGVNSOEM-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide

N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide (PubChem CID 11473559) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide
PubChem CID11473559
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18N2O4/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)21-11-12-26-18-9-7-15(8-10-18)20(24)22-25/h1-10,13,25H,11-12H2,(H,21,23)(H,22,24)
InChIKeyFLUQXAAGVNSOEM-UHFFFAOYSA-N
XLogP2.77
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide (CID 11473559) is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide is O=C(NO)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide?
The InChIKey is FLUQXAAGVNSOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)21-11-12-26-18-9-7-15(8-10-18)20(24)22-25/h1-10,13,25H,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide?
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11473559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).