N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C23H30N2O3 — CID 54782220

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-15(2)13-19-9-11-20(12-10-19)18(5)23(27)25-24-21(26)14-28-22-16(3)7-6-8-17(22)4/h6-12,15,18H,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMKVBPSDGAPXZSF-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.83
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782220) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782220
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-15(2)13-19-9-11-20(12-10-19)18(5)23(27)25-24-21(26)14-28-22-16(3)7-6-8-17(22)4/h6-12,15,18H,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMKVBPSDGAPXZSF-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.83
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'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782216
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(3-methyl-2-pyridinyl)propanehydrazide
CID 156776033
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782220) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is MKVBPSDGAPXZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)13-19-9-11-20(12-10-19)18(5)23(27)25-24-21(26)14-28-22-16(3)7-6-8-17(22)4/h6-12,15,18H,13-14H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 382.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).