N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide

C17H21N3O — CID 106900777

IUPACN-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(C)cc2NN)cc1
InChIInChI=1S/C17H21N3O/c1-3-13-5-7-14(8-6-13)11-19-17(21)15-9-4-12(2)10-16(15)20-18/h4-10,20H,3,11,18H2,1-2H3,(H,19,21)
InChIKeyLESFWJBEMZNKLM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide

N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide (PubChem CID 106900777) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide
PubChem CID106900777
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(C)cc2NN)cc1
InChIInChI=1S/C17H21N3O/c1-3-13-5-7-14(8-6-13)11-19-17(21)15-9-4-12(2)10-16(15)20-18/h4-10,20H,3,11,18H2,1-2H3,(H,19,21)
InChIKeyLESFWJBEMZNKLM-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
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

2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
CID 62511517
2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 114188316
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80686591

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide (CID 106900777) is N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide is CCc1ccc(CNC(=O)c2ccc(C)cc2NN)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide?
The InChIKey is LESFWJBEMZNKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-13-5-7-14(8-6-13)11-19-17(21)15-9-4-12(2)10-16(15)20-18/h4-10,20H,3,11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide?
N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-hydrazinyl-4-methylbenzamide is sourced from PubChem (CID 106900777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).