4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

C21H25N3O4 — CID 4950203

IUPAC4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-3-18(28-17-11-9-15(2)10-12-17)21(27)24-23-20(26)14-13-19(25)22-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyNSLHINKSCOEUAG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.72
Rot. Bonds8

About 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 4950203) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID4950203
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O4/c1-3-18(28-17-11-9-15(2)10-12-17)21(27)24-23-20(26)14-13-19(25)22-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyNSLHINKSCOEUAG-UHFFFAOYSA-N
XLogP2.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.72
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

4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4928607
N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide
CID 42426908
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
CID 42426923
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 17343934
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (CID 4950203) is 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is CCC(Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is NSLHINKSCOEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-18(28-17-11-9-15(2)10-12-17)21(27)24-23-20(26)14-13-19(25)22-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 383.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 4950203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).