4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide

C12H18N4O2 — CID 77025709

IUPAC4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
SMILESNC(=O)c1ccc(NCCCCC(N)=NO)cc1
InChIInChI=1S/C12H18N4O2/c13-11(16-18)3-1-2-8-15-10-6-4-9(5-7-10)12(14)17/h4-7,15,18H,1-3,8H2,(H2,13,16)(H2,14,17)
InChIKeyDBPPKZBEMQFPAI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.11
Rot. Bonds7

About 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide

4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide (PubChem CID 77025709) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide.

Molecular Properties

Compound Name4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
PubChem CID77025709
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
SMILESNC(=O)c1ccc(NCCCCC(N)=NO)cc1
InChIInChI=1S/C12H18N4O2/c13-11(16-18)3-1-2-8-15-10-6-4-9(5-7-10)12(14)17/h4-7,15,18H,1-3,8H2,(H2,13,16)(H2,14,17)
InChIKeyDBPPKZBEMQFPAI-UHFFFAOYSA-N
XLogP1.11
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminobutylamino)benzamide
CID 117097342
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
CID 77029852
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
4-(3-phenoxypropylamino)benzamide
CID 60678988

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide?
The IUPAC name of 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide (CID 77025709) is 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide.
What is the SMILES notation for 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide?
The canonical SMILES for 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide is NC(=O)c1ccc(NCCCCC(N)=NO)cc1.
What is the InChIKey of 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide?
The InChIKey is DBPPKZBEMQFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11(16-18)3-1-2-8-15-10-6-4-9(5-7-10)12(14)17/h4-7,15,18H,1-3,8H2,(H2,13,16)(H2,14,17).
What are the key properties of 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide?
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide is sourced from PubChem (CID 77025709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).