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

C22H29BrN2O2 — CID 31215833

IUPAC2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29BrN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)
InChIKeyQVYKURWVYPLIGV-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.13
Rot. Bonds6

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

2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide (PubChem CID 31215833) has the molecular formula C22H29BrN2O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
PubChem CID31215833
Molecular FormulaC22H29BrN2O2
Molecular Weight433.39 g/mol
Exact Mass432.14
IUPAC Name2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29BrN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)
InChIKeyQVYKURWVYPLIGV-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7601493
2-(1-adamantyl)-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 7779910
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide (CID 31215833) is 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide is CN(Cc1ccccc1Br)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The InChIKey is QVYKURWVYPLIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26).
What are the key properties of 2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 4.13, 6 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-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 31215833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).