N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide

C21H28N2O3 — CID 51185847

IUPACN-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-2-26-18-6-4-3-5-17(18)23-19(24)13-22-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyTWIQVEUXVJVKPE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide

N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 51185847) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
PubChem CID51185847
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-2-26-18-6-4-3-5-17(18)23-19(24)13-22-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyTWIQVEUXVJVKPE-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 8512875
N-[2-[2-(3-fluorophenoxy)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55980707
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 55465499
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18107080
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-ethoxyphenyl)acetamide
CID 2962803

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide (CID 51185847) is N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide is CCOc1ccccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is TWIQVEUXVJVKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-26-18-6-4-3-5-17(18)23-19(24)13-22-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide?
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 51185847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).