2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide

C23H34N2O — CID 22194377

IUPAC2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N2O/c1-4-19-7-6-8-20(5-2)22(19)24-21(26)15-25(3)23-12-16-9-17(13-23)11-18(10-16)14-23/h6-8,16-18H,4-5,9-15H2,1-3H3,(H,24,26)
InChIKeyUPSRGBCAEAIKHB-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.65
Rot. Bonds6

About 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide

2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide (PubChem CID 22194377) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
PubChem CID22194377
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N2O/c1-4-19-7-6-8-20(5-2)22(19)24-21(26)15-25(3)23-12-16-9-17(13-23)11-18(10-16)14-23/h6-8,16-18H,4-5,9-15H2,1-3H3,(H,24,26)
InChIKeyUPSRGBCAEAIKHB-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 22194369
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911645
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17277679
ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 22194358
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
1-amino-N-(2,6-diethylphenyl)cyclopropane-1-carboxamide
CID 65463970
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide (CID 22194377) is 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is UPSRGBCAEAIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-4-19-7-6-8-20(5-2)22(19)24-21(26)15-25(3)23-12-16-9-17(13-23)11-18(10-16)14-23/h6-8,16-18H,4-5,9-15H2,1-3H3,(H,24,26).
What are the key properties of 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide?
2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 354.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 22194377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).