N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C18H28N2O3 — CID 54782231

IUPACN'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-23-11-10-17(21)19-20-18(22)14(4)16-8-6-15(7-9-16)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGRJSIGWGVDKJGS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.56
Rot. Bonds8

About N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782231) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782231
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-23-11-10-17(21)19-20-18(22)14(4)16-8-6-15(7-9-16)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGRJSIGWGVDKJGS-UHFFFAOYSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782231) is N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide is CCOCCC(=O)NNC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is GRJSIGWGVDKJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-23-11-10-17(21)19-20-18(22)14(4)16-8-6-15(7-9-16)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 320.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).