N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide

C21H28N2O2 — CID 7644075

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
SMILESC[C@H](NC(=O)CO/N=C\c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-15(21-10-17-7-18(11-21)9-19(8-17)12-21)23-20(24)14-25-22-13-16-5-3-2-4-6-16/h2-6,13,15,17-19H,7-12,14H2,1H3,(H,23,24)/b22-13-/t15-,17?,18?,19?,21?/m0/s1
InChIKeyJJCPSTBUNQMUQI-ZMNTWSORSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds6

About N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide (PubChem CID 7644075) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
PubChem CID7644075
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
SMILESC[C@H](NC(=O)CO/N=C\c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-15(21-10-17-7-18(11-21)9-19(8-17)12-21)23-20(24)14-25-22-13-16-5-3-2-4-6-16/h2-6,13,15,17-19H,7-12,14H2,1H3,(H,23,24)/b22-13-/t15-,17?,18?,19?,21?/m0/s1
InChIKeyJJCPSTBUNQMUQI-ZMNTWSORSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704639
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991478
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540227
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7229133
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703887
N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705203
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7867259
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489152
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767174
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide (CID 7644075) is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide is C[C@H](NC(=O)CO/N=C\c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide?
The InChIKey is JJCPSTBUNQMUQI-ZMNTWSORSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(21-10-17-7-18(11-21)9-19(8-17)12-21)23-20(24)14-25-22-13-16-5-3-2-4-6-16/h2-6,13,15,17-19H,7-12,14H2,1H3,(H,23,24)/b22-13-/t15-,17?,18?,19?,21?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide is sourced from PubChem (CID 7644075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).