N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide

C16H17N3O2 — CID 43333185

IUPACN-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(/C(N)=N/O)cc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(20)13-10-8-12(9-11-13)15(17)18-21/h3-11,21H,2H2,1H3,(H2,17,18)
InChIKeySVFPWISAWRPGDG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide

N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide (PubChem CID 43333185) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
PubChem CID43333185
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(/C(N)=N/O)cc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(20)13-10-8-12(9-11-13)15(17)18-21/h3-11,21H,2H2,1H3,(H2,17,18)
InChIKeySVFPWISAWRPGDG-UHFFFAOYSA-N
XLogP2.45
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
N-(2-amino-2-oxoethyl)-N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 103103729
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide (CID 43333185) is N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide is CCN(C(=O)c1ccc(/C(N)=N/O)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide?
The InChIKey is SVFPWISAWRPGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19(14-6-4-3-5-7-14)16(20)13-10-8-12(9-11-13)15(17)18-21/h3-11,21H,2H2,1H3,(H2,17,18).
What are the key properties of N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide?
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide is sourced from PubChem (CID 43333185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).