N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide

C23H32N2O3 — CID 42931140

IUPACN'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
SMILESCCC(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-3-15(2)19-6-4-5-7-20(19)28-14-21(26)24-25-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAPRNMZHUJPTSHC-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.94
Rot. Bonds6

About N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide

N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide (PubChem CID 42931140) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
PubChem CID42931140
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
SMILESCCC(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-3-15(2)19-6-4-5-7-20(19)28-14-21(26)24-25-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAPRNMZHUJPTSHC-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.94
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

N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 24538359
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide (CID 42931140) is N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide is CCC(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide?
The InChIKey is APRNMZHUJPTSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-15(2)19-6-4-5-7-20(19)28-14-21(26)24-25-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide?
N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide has a molecular weight of 384.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 42931140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).