2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide

C24H34N2O2 — CID 7809187

IUPAC2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H34N2O2/c1-3-17-4-6-18(7-5-17)16-26(2)23(28)15-25-22(27)14-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-21H,3,8-16H2,1-2H3,(H,25,27)
InChIKeyFIBNQMLXAYMDFR-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.93
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide (PubChem CID 7809187) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
PubChem CID7809187
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCCc1ccc(CN(C)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H34N2O2/c1-3-17-4-6-18(7-5-17)16-26(2)23(28)15-25-22(27)14-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-21H,3,8-16H2,1-2H3,(H,25,27)
InChIKeyFIBNQMLXAYMDFR-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 7779910
2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 31215833
2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7601493
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
2-(1-adamantyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 9468448
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309757
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7303372
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 38045516

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide (CID 7809187) is 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide is CCc1ccc(CN(C)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The InChIKey is FIBNQMLXAYMDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-3-17-4-6-18(7-5-17)16-26(2)23(28)15-25-22(27)14-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-21H,3,8-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 7809187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).