N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

C17H17N3O3 — CID 136672598

IUPACN-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-2-6-14(7-3-12)17(23)18-11-16(22)20-19-10-13-4-8-15(21)9-5-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10-
InChIKeyYFHXSAHFOXVXIW-GRSHGNNSSA-N
MW311.34 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 136672598) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
PubChem CID136672598
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-2-6-14(7-3-12)17(23)18-11-16(22)20-19-10-13-4-8-15(21)9-5-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10-
InChIKeyYFHXSAHFOXVXIW-GRSHGNNSSA-N
XLogP1.58
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136861906
[4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3845056
N-[2-[(2E)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 155533933
[4-[(Z)-[[2-[(4-butoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6154527
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 4178968
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (CID 136672598) is N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)N/N=C\c2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is YFHXSAHFOXVXIW-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-2-6-14(7-3-12)17(23)18-11-16(22)20-19-10-13-4-8-15(21)9-5-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10-.
What are the key properties of N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 311.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 136672598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).