N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

C23H30N2O4 — CID 17169425

IUPACN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C23H30N2O4/c1-14(2)19-8-11-20(12-9-19)28-17(5)22(26)24-25-23(27)18(6)29-21-10-7-15(3)16(4)13-21/h7-14,17-18H,1-6H3,(H,24,26)(H,25,27)
InChIKeyBWPHRMSSHIPPJT-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.81
Rot. Bonds7

About N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (PubChem CID 17169425) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
PubChem CID17169425
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C23H30N2O4/c1-14(2)19-8-11-20(12-9-19)28-17(5)22(26)24-25-23(27)18(6)29-21-10-7-15(3)16(4)13-21/h7-14,17-18H,1-6H3,(H,24,26)(H,25,27)
InChIKeyBWPHRMSSHIPPJT-UHFFFAOYSA-N
XLogP3.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.81
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-phenoxypropanehydrazide
CID 17169390
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
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
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (CID 17169425) is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The InChIKey is BWPHRMSSHIPPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-14(2)19-8-11-20(12-9-19)28-17(5)22(26)24-25-23(27)18(6)29-21-10-7-15(3)16(4)13-21/h7-14,17-18H,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide has a molecular weight of 398.50 g/mol, XLogP of 3.81, 7 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-(4-propan-2-ylphenoxy)propanehydrazide is sourced from PubChem (CID 17169425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).