N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

C21H26N2O4 — CID 4953842

IUPACN'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)27-16(4)21(25)23-22-20(24)13-26-19-7-5-6-15(3)12-19/h5-12,14,16H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySRFNLOZVFWTUCC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.11
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (PubChem CID 4953842) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
PubChem CID4953842
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)27-16(4)21(25)23-22-20(24)13-26-19-7-5-6-15(3)12-19/h5-12,14,16H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySRFNLOZVFWTUCC-UHFFFAOYSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.11
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

2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
(2S)-N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9240937
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944192

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (CID 4953842) is N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is Cc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The InChIKey is SRFNLOZVFWTUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)27-16(4)21(25)23-22-20(24)13-26-19-7-5-6-15(3)12-19/h5-12,14,16H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is sourced from PubChem (CID 4953842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).