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

C20H23N3O4 — CID 4928607

IUPAC4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-14-8-10-17(11-9-14)27-15(2)20(26)23-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGEHIKLFVYNMMDM-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.33
Rot. Bonds7

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

4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 4928607) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID4928607
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-14-8-10-17(11-9-14)27-15(2)20(26)23-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGEHIKLFVYNMMDM-UHFFFAOYSA-N
XLogP2.33
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.33
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-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4950203
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(3,4-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931367
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
1-phenyl-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 39819113
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (CID 4928607) is 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is Cc1ccc(OC(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is GEHIKLFVYNMMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-8-10-17(11-9-14)27-15(2)20(26)23-22-19(25)13-12-18(24)21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 369.42 g/mol, XLogP of 2.33, 7 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)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 4928607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).