N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide

C20H23N3O4 — CID 3342447

IUPACN-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(12-13)21-18(24)10-11-19(25)22-23-20(26)15-6-8-16(27-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWTWFUYHEFCDYHE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.49
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide

N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3342447) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3342447
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(12-13)21-18(24)10-11-19(25)22-23-20(26)15-6-8-16(27-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWTWFUYHEFCDYHE-UHFFFAOYSA-N
XLogP2.49
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4948472
1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 8001075
4-[2-(3-bromo-4-methylbenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4554325
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17353600
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
4-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3382868
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513201

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide (CID 3342447) is N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide is COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is WTWFUYHEFCDYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(12-13)21-18(24)10-11-19(25)22-23-20(26)15-6-8-16(27-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide?
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 369.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3342447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).