2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide

C19H26N2O2 — CID 154930175

IUPAC2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-13-3-2-4-16(5-13)21-17(22)11-20-18-7-14-6-15(8-18)10-19(23,9-14)12-18/h2-5,14-15,20,23H,6-12H2,1H3,(H,21,22)
InChIKeyHZWVHGGKPTVMGW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.61
Rot. Bonds4

About 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide

2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 154930175) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID154930175
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-13-3-2-4-16(5-13)21-17(22)11-20-18-7-14-6-15(8-18)10-19(23,9-14)12-18/h2-5,14-15,20,23H,6-12H2,1H3,(H,21,22)
InChIKeyHZWVHGGKPTVMGW-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
[2-(3-methylanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7833182
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
[2-(3-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4828855
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(3-methylphenyl)acetamide
CID 62518654
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide (CID 154930175) is 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNC23CC4CC(CC(O)(C4)C2)C3)c1.
What is the InChIKey of 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is HZWVHGGKPTVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-3-2-4-16(5-13)21-17(22)11-20-18-7-14-6-15(8-18)10-19(23,9-14)12-18/h2-5,14-15,20,23H,6-12H2,1H3,(H,21,22).
What are the key properties of 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide?
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 154930175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).