3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide

C22H30N2O4 — CID 16765908

IUPAC3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)c1
InChIInChI=1S/C22H30N2O4/c1-15(25)24-22-12-16-8-17(13-22)11-21(10-16,14-22)20(26)23-6-7-28-19-5-3-4-18(9-19)27-2/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXADXJLZBFUPZNE-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.67
Rot. Bonds7

About 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide

3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide (PubChem CID 16765908) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
PubChem CID16765908
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
SMILESCOc1cccc(OCCNC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)c1
InChIInChI=1S/C22H30N2O4/c1-15(25)24-22-12-16-8-17(13-22)11-21(10-16,14-22)20(26)23-6-7-28-19-5-3-4-18(9-19)27-2/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXADXJLZBFUPZNE-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98422119
3-acetamido-N-[2-[(4-chlorobenzoyl)amino]ethyl]adamantane-1-carboxamide
CID 42944694
N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
CID 46399859
(5R,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide
CID 98408155
(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 98215067
(5S,7R)-3-acetamido-N-[3-(benzimidazol-1-yl)propyl]adamantane-1-carboxamide
CID 27786498
2-[(3S,5S)-3,5-dimethyl-1-adamantyl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 98079939
2-(4-chlorophenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 29246551
N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide
CID 75406097
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-amino-N-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide?
The IUPAC name of 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide (CID 16765908) is 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide is COc1cccc(OCCNC(=O)C23CC4CC(CC(NC(C)=O)(C4)C2)C3)c1.
What is the InChIKey of 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide?
The InChIKey is XADXJLZBFUPZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-15(25)24-22-12-16-8-17(13-22)11-21(10-16,14-22)20(26)23-6-7-28-19-5-3-4-18(9-19)27-2/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide?
3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 16765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).