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

C21H25N3O3 — CID 7917946

IUPAC2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H25N3O3/c22-12-14-1-3-18(4-2-14)27-13-20(26)24-23-19(25)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,15-17H,5-11,13H2,(H,23,25)(H,24,26)
InChIKeyJDDCVVGAWDRLAM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.69
Rot. Bonds5

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

2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide (PubChem CID 7917946) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
PubChem CID7917946
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H25N3O3/c22-12-14-1-3-18(4-2-14)27-13-20(26)24-23-19(25)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,15-17H,5-11,13H2,(H,23,25)(H,24,26)
InChIKeyJDDCVVGAWDRLAM-UHFFFAOYSA-N
XLogP2.69
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.69
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-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
N-[2-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 24636170
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-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
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide (CID 7917946) is 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide?
The InChIKey is JDDCVVGAWDRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-12-14-1-3-18(4-2-14)27-13-20(26)24-23-19(25)11-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,15-17H,5-11,13H2,(H,23,25)(H,24,26).
What are the key properties of 2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide has a molecular weight of 367.45 g/mol, XLogP of 2.69, 5 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-cyanophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 7917946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).