N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide

C18H20N2O3 — CID 7780022

IUPACN'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-14(2)16(12-13)23-11-10-17(21)19-20-18(22)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDYFKXCMYXMUNHI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.53
Rot. Bonds5

About N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide

N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide (PubChem CID 7780022) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
PubChem CID7780022
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-14(2)16(12-13)23-11-10-17(21)19-20-18(22)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDYFKXCMYXMUNHI-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide (CID 7780022) is N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide is Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide?
The InChIKey is DYFKXCMYXMUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-14(2)16(12-13)23-11-10-17(21)19-20-18(22)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide?
N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 7780022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).