N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

C20H28N2O4 — CID 51186138

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C20H28N2O4/c1-6-25-15-9-7-8-10-16(15)26-12-17(23)21-22-19(24)18-14(11-13(2)3)20(18,4)5/h7-11,14,18H,6,12H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQLYWKUXYJGRRMW-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.85
Rot. Bonds7

About N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (PubChem CID 51186138) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
PubChem CID51186138
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C20H28N2O4/c1-6-25-15-9-7-8-10-16(15)26-12-17(23)21-22-19(24)18-14(11-13(2)3)20(18,4)5/h7-11,14,18H,6,12H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQLYWKUXYJGRRMW-UHFFFAOYSA-N
XLogP2.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N'-[2-(2-ethoxyphenoxy)acetyl]-2-ethylbutanehydrazide
CID 78775327
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
N'-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 60519820
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946784
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide
CID 55684408
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
N-cyano-2-(2-ethoxyphenoxy)acetamide
CID 79194263
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (CID 51186138) is N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The InChIKey is QLYWKUXYJGRRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-6-25-15-9-7-8-10-16(15)26-12-17(23)21-22-19(24)18-14(11-13(2)3)20(18,4)5/h7-11,14,18H,6,12H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide has a molecular weight of 360.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 51186138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).