4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide

C19H21N3O3 — CID 5165535

IUPAC4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-21-18(24)13-14-19(25)22(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyKETKJOJFUVYTDR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.69
Rot. Bonds6

About 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide

4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide (PubChem CID 5165535) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide.

Molecular Properties

Compound Name4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
PubChem CID5165535
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
SMILESCCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-21-18(24)13-14-19(25)22(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyKETKJOJFUVYTDR-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.69
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-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
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
methyl (2R)-4-methyl-2-[[4-oxo-4-(N-phenylanilino)butanoyl]amino]pentanoate
CID 7315878
methyl (2S)-4-methyl-2-[[4-oxo-4-(N-phenylanilino)butanoyl]amino]pentanoate
CID 7315877
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
3-chloro-N,N-diphenylpropanamide
CID 3331408
CID 159685847
CID 159685847
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
3-hydroxy-N-(4-hydroxyphenyl)-N-phenylpropanamide
CID 134339234

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide?
The IUPAC name of 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide (CID 5165535) is 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide.
What is the SMILES notation for 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide?
The canonical SMILES for 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide is CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide?
The InChIKey is KETKJOJFUVYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-17(23)20-21-18(24)13-14-19(25)22(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide?
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide has a molecular weight of 339.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide is sourced from PubChem (CID 5165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).