N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide

C21H25N3O4 — CID 4940056

IUPACN-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)Oc2ccccc2)c(C)c1
InChIInChI=1S/C21H25N3O4/c1-14-9-10-18(15(2)13-14)22-19(25)11-12-20(26)23-24-21(27)16(3)28-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCOENOYYLRSDAHM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.64
Rot. Bonds7

About N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide

N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide (PubChem CID 4940056) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
PubChem CID4940056
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)Oc2ccccc2)c(C)c1
InChIInChI=1S/C21H25N3O4/c1-14-9-10-18(15(2)13-14)22-19(25)11-12-20(26)23-24-21(27)16(3)28-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCOENOYYLRSDAHM-UHFFFAOYSA-N
XLogP2.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.64
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-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931366
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4945001
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-(3,4-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931367
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
CID 2925600
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide (CID 4940056) is N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)Oc2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide?
The InChIKey is COENOYYLRSDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-9-10-18(15(2)13-14)22-19(25)11-12-20(26)23-24-21(27)16(3)28-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide?
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide is sourced from PubChem (CID 4940056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).