2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide

C24H36N2O2 — CID 20660012

IUPAC2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide
SMILESCc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1OCCCN(C)C
InChIInChI=1S/C24H36N2O2/c1-17-21(6-4-7-22(17)28-9-5-8-26(2)3)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h4,6-7,18-20H,5,8-16H2,1-3H3,(H,25,27)
InChIKeyUBHGZLUDZFZIHL-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.87
Rot. Bonds8

About 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide

2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide (PubChem CID 20660012) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide
PubChem CID20660012
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide
SMILESCc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1OCCCN(C)C
InChIInChI=1S/C24H36N2O2/c1-17-21(6-4-7-22(17)28-9-5-8-26(2)3)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h4,6-7,18-20H,5,8-16H2,1-3H3,(H,25,27)
InChIKeyUBHGZLUDZFZIHL-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
2-(1-adamantyl)-N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]acetamide
CID 25063414
2-(3-bromo-1-adamantyl)-N-(2-propoxyphenyl)acetamide
CID 42997776
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
2-(1-adamantyl)-N-[2-methyl-5-[3-(methylamino)propoxy]phenyl]acetamide;hydrochloride
CID 131722598
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide (CID 20660012) is 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide is Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1OCCCN(C)C.
What is the InChIKey of 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide?
The InChIKey is UBHGZLUDZFZIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-17-21(6-4-7-22(17)28-9-5-8-26(2)3)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h4,6-7,18-20H,5,8-16H2,1-3H3,(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide?
2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide has a molecular weight of 384.56 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[3-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide is sourced from PubChem (CID 20660012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).