4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide

C18H19N3O3 — CID 51362140

IUPAC4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
SMILESCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-14(22)19-20-17(23)12-13-18(24)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyMFMJJOPQUNAVCQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds5

About 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide

4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide (PubChem CID 51362140) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide.

Molecular Properties

Compound Name4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
PubChem CID51362140
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
SMILESCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-14(22)19-20-17(23)12-13-18(24)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyMFMJJOPQUNAVCQ-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
CID 3992740
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
CID 159685847
CID 159685847
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
3-chloro-N,N-diphenylpropanamide
CID 3331408
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 6052542
methyl (2S)-4-methyl-2-[[4-oxo-4-(N-phenylanilino)butanoyl]amino]pentanoate
CID 7315877

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide?
The IUPAC name of 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide (CID 51362140) is 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide.
What is the SMILES notation for 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide?
The canonical SMILES for 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide is CC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide?
The InChIKey is MFMJJOPQUNAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-14(22)19-20-17(23)12-13-18(24)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide?
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide has a molecular weight of 325.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide is sourced from PubChem (CID 51362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).