N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide

C26H36N2O3 — CID 108557120

IUPACN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H36N2O3/c1-2-21-5-3-4-6-23(21)31-17-24(29)27-22-7-9-28(10-8-22)25(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,29)
InChIKeyPYLFNYRWRGSSHQ-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide (PubChem CID 108557120) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
PubChem CID108557120
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H36N2O3/c1-2-21-5-3-4-6-23(21)31-17-24(29)27-22-7-9-28(10-8-22)25(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,29)
InChIKeyPYLFNYRWRGSSHQ-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551002

Frequently Asked Questions

What is the IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide (CID 108557120) is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The InChIKey is PYLFNYRWRGSSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-2-21-5-3-4-6-23(21)31-17-24(29)27-22-7-9-28(10-8-22)25(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20,22H,2,7-17H2,1H3,(H,27,29).
What are the key properties of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide has a molecular weight of 424.59 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide is sourced from PubChem (CID 108557120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).