N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide

C22H30N2O3 — CID 17421165

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14-4-3-5-15(2)20(14)24-19(26)12-23-18(25)11-21-7-16-6-17(8-21)10-22(27,9-16)13-21/h3-5,16-17,27H,6-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUSRLKMUEPMLRAJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 17421165) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID17421165
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14-4-3-5-15(2)20(14)24-19(26)12-23-18(25)11-21-7-16-6-17(8-21)10-22(27,9-16)13-21/h3-5,16-17,27H,6-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUSRLKMUEPMLRAJ-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127801
2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8513401
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24544705
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270327
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9270815
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
(2S)-2-(1-adamantylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9358459
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 17421165) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is USRLKMUEPMLRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14-4-3-5-15(2)20(14)24-19(26)12-23-18(25)11-21-7-16-6-17(8-21)10-22(27,9-16)13-21/h3-5,16-17,27H,6-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 17421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).