4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

C23H29N3O4 — CID 4945001

IUPAC4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C23H29N3O4/c1-14-6-8-16(3)19(12-14)24-21(27)10-11-22(28)25-26-23(29)18(5)30-20-13-15(2)7-9-17(20)4/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPRERPLRHSJUMFT-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.25
Rot. Bonds7

About 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 4945001) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID4945001
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C23H29N3O4/c1-14-6-8-16(3)19(12-14)24-21(27)10-11-22(28)25-26-23(29)18(5)30-20-13-15(2)7-9-17(20)4/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPRERPLRHSJUMFT-UHFFFAOYSA-N
XLogP3.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.25
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

N-benzyl-4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4945000
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
CID 17045660
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (CID 4945001) is 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(C)Oc2cc(C)ccc2C)c1.
What is the InChIKey of 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is PRERPLRHSJUMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14-6-8-16(3)19(12-14)24-21(27)10-11-22(28)25-26-23(29)18(5)30-20-13-15(2)7-9-17(20)4/h6-9,12-13,18H,10-11H2,1-5H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 411.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 4945001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).