N-(2-butoxyethyl)-4-hydrazinylbenzamide

C13H21N3O2 — CID 62243133

IUPACN-(2-butoxyethyl)-4-hydrazinylbenzamide
SMILESCCCCOCCNC(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H21N3O2/c1-2-3-9-18-10-8-15-13(17)11-4-6-12(16-14)7-5-11/h4-7,16H,2-3,8-10,14H2,1H3,(H,15,17)
InChIKeyFSFRBVQBQPUKMU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.52
Rot. Bonds8

About N-(2-butoxyethyl)-4-hydrazinylbenzamide

N-(2-butoxyethyl)-4-hydrazinylbenzamide (PubChem CID 62243133) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-hydrazinylbenzamide
PubChem CID62243133
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-butoxyethyl)-4-hydrazinylbenzamide
SMILESCCCCOCCNC(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H21N3O2/c1-2-3-9-18-10-8-15-13(17)11-4-6-12(16-14)7-5-11/h4-7,16H,2-3,8-10,14H2,1H3,(H,15,17)
InChIKeyFSFRBVQBQPUKMU-UHFFFAOYSA-N
XLogP1.52
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
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

4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
4-(tert-butylamino)-N-[2-[3-(tert-butylamino)propoxy]ethyl]benzamide
CID 163716386
N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-[2-[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111693476
4-(2-butoxyethoxy)benzohydrazide
CID 55214383

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(2-butoxyethyl)-4-hydrazinylbenzamide (CID 62243133) is N-(2-butoxyethyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2-butoxyethyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(2-butoxyethyl)-4-hydrazinylbenzamide is CCCCOCCNC(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(2-butoxyethyl)-4-hydrazinylbenzamide?
The InChIKey is FSFRBVQBQPUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-9-18-10-8-15-13(17)11-4-6-12(16-14)7-5-11/h4-7,16H,2-3,8-10,14H2,1H3,(H,15,17).
What are the key properties of N-(2-butoxyethyl)-4-hydrazinylbenzamide?
N-(2-butoxyethyl)-4-hydrazinylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 62243133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).