N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide

C11H16N4O2 — CID 62237082

IUPACN-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c12-10(16)2-1-7-14-11(17)8-3-5-9(15-13)6-4-8/h3-6,15H,1-2,7,13H2,(H2,12,16)(H,14,17)
InChIKeyWGXUOVADHZTDDK-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.03
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide

N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide (PubChem CID 62237082) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
PubChem CID62237082
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)NCCCC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c12-10(16)2-1-7-14-11(17)8-3-5-9(15-13)6-4-8/h3-6,15H,1-2,7,13H2,(H2,12,16)(H,14,17)
InChIKeyWGXUOVADHZTDDK-UHFFFAOYSA-N
XLogP-0.03
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide (CID 62237082) is N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide is NNc1ccc(C(=O)NCCCC(N)=O)cc1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide?
The InChIKey is WGXUOVADHZTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10(16)2-1-7-14-11(17)8-3-5-9(15-13)6-4-8/h3-6,15H,1-2,7,13H2,(H2,12,16)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide?
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide has a molecular weight of 236.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 62237082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).