N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide

C19H20N2O4 — CID 155510762

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NOCc2ccc(/C=C/C(=O)NO)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-9-14(2)11-17(10-13)19(23)21-25-12-16-5-3-15(4-6-16)7-8-18(22)20-24/h3-11,24H,12H2,1-2H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyVGPPKRFDCSZGRO-BQYQJAHWSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds6

About N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide (PubChem CID 155510762) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
PubChem CID155510762
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NOCc2ccc(/C=C/C(=O)NO)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-9-14(2)11-17(10-13)19(23)21-25-12-16-5-3-15(4-6-16)7-8-18(22)20-24/h3-11,24H,12H2,1-2H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyVGPPKRFDCSZGRO-BQYQJAHWSA-N
XLogP2.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
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]-3,5-dimethylbenzamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide (CID 155510762) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NOCc2ccc(/C=C/C(=O)NO)cc2)c1.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide?
The InChIKey is VGPPKRFDCSZGRO-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-9-14(2)11-17(10-13)19(23)21-25-12-16-5-3-15(4-6-16)7-8-18(22)20-24/h3-11,24H,12H2,1-2H3,(H,20,22)(H,21,23)/b8-7+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.68, 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]-3,5-dimethylbenzamide is sourced from PubChem (CID 155510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).