N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide

C21H28N2O4 — CID 24553914

IUPACN'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4/c1-27-17-4-2-14(3-5-17)7-18(24)22-23-19(25)12-20-8-15-6-16(9-20)11-21(26,10-15)13-20/h2-5,15-16,26H,6-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyODLOSGOJWSDAOD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.11
Rot. Bonds5

About N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide

N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide (PubChem CID 24553914) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
PubChem CID24553914
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4/c1-27-17-4-2-14(3-5-17)7-18(24)22-23-19(25)12-20-8-15-6-16(9-20)11-21(26,10-15)13-20/h2-5,15-16,26H,6-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyODLOSGOJWSDAOD-UHFFFAOYSA-N
XLogP2.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.11
H-Bond Donors ≤ 53
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-(4-methoxyanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126954
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270327
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
methyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]-4-methylbenzoate
CID 9378234

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide (CID 24553914) is N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide?
The InChIKey is ODLOSGOJWSDAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-27-17-4-2-14(3-5-17)7-18(24)22-23-19(25)12-20-8-15-6-16(9-20)11-21(26,10-15)13-20/h2-5,15-16,26H,6-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide?
N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide has a molecular weight of 372.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 24553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).