2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate

C23H33N3O5 — CID 67323372

IUPAC2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
SMILESCOCCOCCOC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2
InChIInChI=1S/C23H33N3O5/c1-16-4-3-5-19(24-16)20(27)25-22-11-17-10-18(12-22)14-23(13-17,15-22)26-21(28)31-9-8-30-7-6-29-2/h3-5,17-18H,6-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAIYPWUHGIZXUQJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.60
Rot. Bonds9

About 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate

2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate (PubChem CID 67323372) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
PubChem CID67323372
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
SMILESCOCCOCCOC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2
InChIInChI=1S/C23H33N3O5/c1-16-4-3-5-19(24-16)20(27)25-22-11-17-10-18(12-22)14-23(13-17,15-22)26-21(28)31-9-8-30-7-6-29-2/h3-5,17-18H,6-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAIYPWUHGIZXUQJ-UHFFFAOYSA-N
XLogP2.60
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67323563
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate (CID 67323372) is 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate is COCCOCCOC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate?
The InChIKey is AIYPWUHGIZXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-16-4-3-5-19(24-16)20(27)25-22-11-17-10-18(12-22)14-23(13-17,15-22)26-21(28)31-9-8-30-7-6-29-2/h3-5,17-18H,6-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate?
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate has a molecular weight of 431.53 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate is sourced from PubChem (CID 67323372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).