N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide

C17H18N2O2 — CID 43185491

IUPACN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
SMILESC/C(=N\O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-11-4-5-15(10-12(11)2)17(20)18-16-8-6-14(7-9-16)13(3)19-21/h4-10,21H,1-3H3,(H,18,20)/b19-13+
InChIKeyCWPUBTQJXLOATA-CPNJWEJPSA-N
MW282.34 g/mol
LogP3.75
Rot. Bonds3

About N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide

N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide (PubChem CID 43185491) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
PubChem CID43185491
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
SMILESC/C(=N\O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-11-4-5-15(10-12(11)2)17(20)18-16-8-6-14(7-9-16)13(3)19-21/h4-10,21H,1-3H3,(H,18,20)/b19-13+
InChIKeyCWPUBTQJXLOATA-CPNJWEJPSA-N
XLogP3.75
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
CID 24711478

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide (CID 43185491) is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide is C/C(=N\O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is CWPUBTQJXLOATA-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-4-5-15(10-12(11)2)17(20)18-16-8-6-14(7-9-16)13(3)19-21/h4-10,21H,1-3H3,(H,18,20)/b19-13+.
What are the key properties of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide?
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 43185491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).