4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

C20H23N3O5 — CID 4942937

IUPAC4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O5/c1-14(28-17-10-8-16(27-2)9-11-17)20(26)23-22-19(25)13-12-18(24)21-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYFGAXTMJIJEZDY-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.03
Rot. Bonds8

About 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 4942937) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID4942937
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O5/c1-14(28-17-10-8-16(27-2)9-11-17)20(26)23-22-19(25)13-12-18(24)21-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYFGAXTMJIJEZDY-UHFFFAOYSA-N
XLogP2.03
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4950203
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (CID 4942937) is 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is COc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is YFGAXTMJIJEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-14(28-17-10-8-16(27-2)9-11-17)20(26)23-22-19(25)13-12-18(24)21-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 385.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 4942937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).