N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

C21H24N2O4 — CID 42946784

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O4/c1-2-26-18-12-5-6-13-19(18)27-14-20(24)22-23-21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyDJYGOOCQMDVGGR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.73
Rot. Bonds6

About N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (PubChem CID 42946784) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
PubChem CID42946784
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C21H24N2O4/c1-2-26-18-12-5-6-13-19(18)27-14-20(24)22-23-21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyDJYGOOCQMDVGGR-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.73
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-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42947058
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410298
3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8015031
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946608
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
ethyl 2-[[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314141
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (CID 42946784) is N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The InChIKey is DJYGOOCQMDVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-18-12-5-6-13-19(18)27-14-20(24)22-23-21(25)17-11-7-9-15-8-3-4-10-16(15)17/h3-6,8,10,12-13,17H,2,7,9,11,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide has a molecular weight of 368.43 g/mol, XLogP of 2.73, 6 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]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is sourced from PubChem (CID 42946784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).