N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide

C18H19N3O4 — CID 135715603

IUPACN-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-15-8-6-13(7-9-15)18(24)19-11-10-17(23)21-20-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,19,24)(H,21,23)/b20-12+
InChIKeyKKPWYNJNSFXNQJ-UDWIEESQSA-N
MW341.37 g/mol
LogP1.67
Rot. Bonds7

About N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide

N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide (PubChem CID 135715603) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
PubChem CID135715603
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-15-8-6-13(7-9-15)18(24)19-11-10-17(23)21-20-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,19,24)(H,21,23)/b20-12+
InChIKeyKKPWYNJNSFXNQJ-UDWIEESQSA-N
XLogP1.67
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
4-methoxy-N-[3-[2-[(4-methylphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3970105
3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 135716445
N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide
CID 4552052
4-methoxy-N-[3-[2-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5005619
N-[3-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 3268350
N-[3-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 4297906
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide (CID 135715603) is N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide?
The InChIKey is KKPWYNJNSFXNQJ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-15-8-6-13(7-9-15)18(24)19-11-10-17(23)21-20-12-14-4-2-3-5-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,19,24)(H,21,23)/b20-12+.
What are the key properties of N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide?
N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide is sourced from PubChem (CID 135715603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).