2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide

C22H30N2O4 — CID 9475144

IUPAC2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O4/c1-2-27-18-3-5-19(6-4-18)28-14-21(26)24-23-20(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyUKTVANXHEWEXNW-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.22
Rot. Bonds7

About 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide (PubChem CID 9475144) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
PubChem CID9475144
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O4/c1-2-27-18-3-5-19(6-4-18)28-14-21(26)24-23-20(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyUKTVANXHEWEXNW-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.22
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-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
CID 108539727
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
CID 7917939
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551861
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide (CID 9475144) is 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide is CCOc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is UKTVANXHEWEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-2-27-18-3-5-19(6-4-18)28-14-21(26)24-23-20(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 386.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9475144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).