N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C18H18N4O3 — CID 6862820

IUPACN-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3/c1-13(23)21-16-9-7-14(8-10-16)11-20-22-17(24)12-19-18(25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,19,25)(H,21,23)(H,22,24)/b20-11+
InChIKeyMRUBXMPWMFKRKP-RGVLZGJSSA-N
MW338.37 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6862820) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6862820
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N4O3/c1-13(23)21-16-9-7-14(8-10-16)11-20-22-17(24)12-19-18(25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,19,25)(H,21,23)(H,22,24)/b20-11+
InChIKeyMRUBXMPWMFKRKP-RGVLZGJSSA-N
XLogP1.53
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6862820) is N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is MRUBXMPWMFKRKP-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13(23)21-16-9-7-14(8-10-16)11-20-22-17(24)12-19-18(25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,19,25)(H,21,23)(H,22,24)/b20-11+.
What are the key properties of N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6862820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).