N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide

C13H21N3O — CID 144916183

IUPACN-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CCNN)cc1
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)16(3)12-6-4-11(5-7-12)8-9-15-14/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyFPLTWMDKSSTFLP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.31
Rot. Bonds5

About N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide

N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 144916183) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
PubChem CID144916183
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CCNN)cc1
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)16(3)12-6-4-11(5-7-12)8-9-15-14/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyFPLTWMDKSSTFLP-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
CID 86305445
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
N-(4-formylphenyl)-N,2-dimethylpropanamide
CID 142058328
ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate
CID 54418983
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
CID 28755736
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-[6-(ethylamino)-3-pyridinyl]-N,2-dimethylpropanamide
CID 115268702
N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187214

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide (CID 144916183) is N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc(CCNN)cc1.
What is the InChIKey of N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is FPLTWMDKSSTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)13(17)16(3)12-6-4-11(5-7-12)8-9-15-14/h4-7,10,15H,8-9,14H2,1-3H3.
What are the key properties of N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide?
N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 144916183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).