N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

C22H32N2O — CID 9045207

IUPACN-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1
InChIInChI=1S/C22H32N2O/c1-15-4-5-20(16(2)6-15)13-24(3)14-21(25)23-22-10-17-7-18(11-22)9-19(8-17)12-22/h4-6,17-19H,7-14H2,1-3H3,(H,23,25)
InChIKeyQCVLCSLRSKFKAV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.82
Rot. Bonds5

About N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (PubChem CID 9045207) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
PubChem CID9045207
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1
InChIInChI=1S/C22H32N2O/c1-15-4-5-20(16(2)6-15)13-24(3)14-21(25)23-22-10-17-7-18(11-22)9-19(8-17)12-22/h4-6,17-19H,7-14H2,1-3H3,(H,23,25)
InChIKeyQCVLCSLRSKFKAV-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663910
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054385
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (CID 9045207) is N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is Cc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1.
What is the InChIKey of N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The InChIKey is QCVLCSLRSKFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-15-4-5-20(16(2)6-15)13-24(3)14-21(25)23-22-10-17-7-18(11-22)9-19(8-17)12-22/h4-6,17-19H,7-14H2,1-3H3,(H,23,25).
What are the key properties of N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide has a molecular weight of 340.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9045207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).