(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide

C21H28N2O3 — CID 7742298

IUPAC(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
SMILESC[C@@H](Oc1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-14(26-18-5-3-2-4-6-18)20(25)23-22-19(24)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17H,7-13H2,1H3,(H,22,24)(H,23,25)/t14-,15?,16?,17?,21?/m1/s1
InChIKeyGEQMCDCQHNVTJS-LFPRZYRFSA-N
MW356.47 g/mol
LogP3.21
Rot. Bonds5

About (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide

(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide (PubChem CID 7742298) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
PubChem CID7742298
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
SMILESC[C@@H](Oc1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-14(26-18-5-3-2-4-6-18)20(25)23-22-19(24)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17H,7-13H2,1H3,(H,22,24)(H,23,25)/t14-,15?,16?,17?,21?/m1/s1
InChIKeyGEQMCDCQHNVTJS-LFPRZYRFSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.21
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

(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
CID 7917939
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894
N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7799897
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
CID 75533847
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
(1-anilino-1-oxopropan-2-yl) 2-(1-adamantyl)acetate
CID 18277005
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
CID 8923558

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide?
The IUPAC name of (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide (CID 7742298) is (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide?
The canonical SMILES for (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide is C[C@@H](Oc1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide?
The InChIKey is GEQMCDCQHNVTJS-LFPRZYRFSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(26-18-5-3-2-4-6-18)20(25)23-22-19(24)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17H,7-13H2,1H3,(H,22,24)(H,23,25)/t14-,15?,16?,17?,21?/m1/s1.
What are the key properties of (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide?
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide has a molecular weight of 356.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide is sourced from PubChem (CID 7742298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).