N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide

C19H21N3O5 — CID 9496139

IUPACN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C19H21N3O5/c1-12-5-4-6-13(7-12)18(24)20-11-17(23)21-22-19(25)14-8-15(26-2)10-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQOBXZGIKMVXJEH-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.20
Rot. Bonds6

About N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide (PubChem CID 9496139) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
PubChem CID9496139
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C19H21N3O5/c1-12-5-4-6-13(7-12)18(24)20-11-17(23)21-22-19(25)14-8-15(26-2)10-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQOBXZGIKMVXJEH-UHFFFAOYSA-N
XLogP1.20
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide 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-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 42910311
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7979811
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7979806
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide (CID 9496139) is N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide is COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is QOBXZGIKMVXJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-5-4-6-13(7-12)18(24)20-11-17(23)21-22-19(25)14-8-15(26-2)10-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 371.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9496139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).