2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide

C20H28N2O — CID 22194369

IUPAC2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H28N2O/c1-14-3-5-18(6-4-14)21-19(23)13-22(2)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,7-13H2,1-2H3,(H,21,23)
InChIKeyKMRBLOCBXYOLHA-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.83
Rot. Bonds4

About 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide

2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 22194369) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID22194369
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H28N2O/c1-14-3-5-18(6-4-14)21-19(23)13-22(2)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,7-13H2,1-2H3,(H,21,23)
InChIKeyKMRBLOCBXYOLHA-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-adamantyl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 22194377
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
CID 7447577
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39083744
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
2-(1-adamantyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297738
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
CID 102639899
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide (CID 22194369) is 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is KMRBLOCBXYOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14-3-5-18(6-4-14)21-19(23)13-22(2)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,7-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide?
2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.83, 4 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 22194369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).