2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide

C16H19N3O2 — CID 115465315

IUPAC2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccccc1CC(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-19(14-6-8-15(20)9-7-14)11-13-5-3-2-4-12(13)10-16(21)18-17/h2-9,20H,10-11,17H2,1H3,(H,18,21)
InChIKeyFGKBQMKVHOPBOG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide

2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide (PubChem CID 115465315) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
PubChem CID115465315
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccccc1CC(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-19(14-6-8-15(20)9-7-14)11-13-5-3-2-4-12(13)10-16(21)18-17/h2-9,20H,10-11,17H2,1H3,(H,18,21)
InChIKeyFGKBQMKVHOPBOG-UHFFFAOYSA-N
XLogP1.56
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide (CID 115465315) is 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide is CN(Cc1ccccc1CC(=O)NN)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide?
The InChIKey is FGKBQMKVHOPBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(14-6-8-15(20)9-7-14)11-13-5-3-2-4-12(13)10-16(21)18-17/h2-9,20H,10-11,17H2,1H3,(H,18,21).
What are the key properties of 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide?
2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide has a molecular weight of 285.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).