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

C22H30N2O3 — CID 55334349

IUPAC2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-2-18-5-3-4-6-19(18)27-14-21(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)
InChIKeyGMPNDXYXQPWINN-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.38
Rot. Bonds6

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

2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide (PubChem CID 55334349) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
PubChem CID55334349
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-2-18-5-3-4-6-19(18)27-14-21(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)
InChIKeyGMPNDXYXQPWINN-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
2-(1-adamantyl)-1-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108545386
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755551
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557120
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298
N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 24538359
2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide (CID 55334349) is 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide is CCc1ccccc1OCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide?
The InChIKey is GMPNDXYXQPWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-18-5-3-4-6-19(18)27-14-21(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-(2-ethylphenoxy)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide has a molecular weight of 370.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 55334349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).