2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone

C32H34N4O5 — CID 172953941

IUPAC2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccccc1.CC(=O)c1ccccc1.Cc1cccc(C(=O)NN)c1O
InChIInChI=1S/C16H16N2O2.C8H10N2O2.C8H8O/c1-11-7-6-10-14(15(11)19)16(20)18-17-12(2)13-8-4-3-5-9-13;1-5-3-2-4-6(7(5)11)8(12)10-9;1-7(9)8-5-3-2-4-6-8/h3-10,19H,1-2H3,(H,18,20);2-4,11H,9H2,1H3,(H,10,12);2-6H,1H3/b17-12+;;
InChIKeyPHIKVWUEISDJFR-CWQUOYFRSA-N
MW554.65 g/mol
LogP5.05
Rot. Bonds5

About 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone

2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone (PubChem CID 172953941) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
PubChem CID172953941
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC Name2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccccc1.CC(=O)c1ccccc1.Cc1cccc(C(=O)NN)c1O
InChIInChI=1S/C16H16N2O2.C8H10N2O2.C8H8O/c1-11-7-6-10-14(15(11)19)16(20)18-17-12(2)13-8-4-3-5-9-13;1-5-3-2-4-6(7(5)11)8(12)10-9;1-7(9)8-5-3-2-4-6-8/h3-10,19H,1-2H3,(H,18,20);2-4,11H,9H2,1H3,(H,10,12);2-6H,1H3/b17-12+;;
InChIKeyPHIKVWUEISDJFR-CWQUOYFRSA-N
XLogP5.05
TPSA154.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
N-[(E)-ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 20646050
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone?
The IUPAC name of 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone (CID 172953941) is 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone.
What is the SMILES notation for 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone?
The canonical SMILES for 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone is C/C(=N\NC(=O)c1cccc(C)c1O)c1ccccc1.CC(=O)c1ccccc1.Cc1cccc(C(=O)NN)c1O.
What is the InChIKey of 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone?
The InChIKey is PHIKVWUEISDJFR-CWQUOYFRSA-N. The full InChI is InChI=1S/C16H16N2O2.C8H10N2O2.C8H8O/c1-11-7-6-10-14(15(11)19)16(20)18-17-12(2)13-8-4-3-5-9-13;1-5-3-2-4-6(7(5)11)8(12)10-9;1-7(9)8-5-3-2-4-6-8/h3-10,19H,1-2H3,(H,18,20);2-4,11H,9H2,1H3,(H,10,12);2-6H,1H3/b17-12+;;.
What are the key properties of 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone?
2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone has a molecular weight of 554.65 g/mol, XLogP of 5.05, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone is sourced from PubChem (CID 172953941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).