N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide

C21H18N2O4 — CID 155513254

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
SMILESO=C(/C=C/c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1)NO
InChIInChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+
InChIKeyLXUGQSIPCDMDHL-FMIVXFBMSA-N
MW362.39 g/mol
LogP3.22
Rot. Bonds6

About N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide (PubChem CID 155513254) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
PubChem CID155513254
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
SMILESO=C(/C=C/c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1)NO
InChIInChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+
InChIKeyLXUGQSIPCDMDHL-FMIVXFBMSA-N
XLogP3.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide (CID 155513254) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide is O=C(/C=C/c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1)NO.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide?
The InChIKey is LXUGQSIPCDMDHL-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155513254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).