N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide

C23H29N3O4 — CID 42426908

IUPACN-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C23H29N3O4/c1-5-20(30-18-9-6-15(2)7-10-18)23(29)26-25-22(28)13-12-21(27)24-19-11-8-16(3)14-17(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyFGWLEBBXDACECA-FQEVSTJZSA-N
MW411.50 g/mol
LogP3.34
Rot. Bonds8

About N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide

N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 42426908) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide
PubChem CID42426908
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C23H29N3O4/c1-5-20(30-18-9-6-15(2)7-10-18)23(29)26-25-22(28)13-12-21(27)24-19-11-8-16(3)14-17(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyFGWLEBBXDACECA-FQEVSTJZSA-N
XLogP3.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.34
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)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4950203
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 17343934
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928664
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide (CID 42426908) is N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide is CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is FGWLEBBXDACECA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-5-20(30-18-9-6-15(2)7-10-18)23(29)26-25-22(28)13-12-21(27)24-19-11-8-16(3)14-17(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide?
N-(2,4-dimethylphenyl)-4-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 411.50 g/mol, XLogP of 3.34, 8 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-[2-[(2S)-2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 42426908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).