4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide

C18H20N4O3 — CID 122601076

IUPAC4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyYBJMRJLHXVKOOB-XDHOZWIPSA-N
MW340.38 g/mol
LogP2.03
Rot. Bonds5

About 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide

4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide (PubChem CID 122601076) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide
PubChem CID122601076
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyYBJMRJLHXVKOOB-XDHOZWIPSA-N
XLogP2.03
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_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 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide (CID 122601076) is 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide is C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide?
The InChIKey is YBJMRJLHXVKOOB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide?
4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[[4-(dimethylamino)benzoyl]amino]-C-methylcarbonimidoyl]-N-hydroxybenzamide is sourced from PubChem (CID 122601076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).