N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide

C20H24N2O4 — CID 17169390

IUPACN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C20H24N2O4/c1-13-10-11-18(12-14(13)2)26-16(4)20(24)22-21-19(23)15(3)25-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,21,23)(H,22,24)
InChIKeyCBTQNBFBAWKZFS-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.69
Rot. Bonds6

About N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide (PubChem CID 17169390) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
PubChem CID17169390
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C20H24N2O4/c1-13-10-11-18(12-14(13)2)26-16(4)20(24)22-21-19(23)15(3)25-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,21,23)(H,22,24)
InChIKeyCBTQNBFBAWKZFS-UHFFFAOYSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
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'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169505
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
5-bromo-N'-[2-(3,4-dimethylphenoxy)propanoyl]furan-2-carbohydrazide
CID 17169354
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide (CID 17169390) is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccccc2)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide?
The InChIKey is CBTQNBFBAWKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-10-11-18(12-14(13)2)26-16(4)20(24)22-21-19(23)15(3)25-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide?
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide has a molecular weight of 356.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide is sourced from PubChem (CID 17169390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).