2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide

C18H30N2O2 — CID 2882420

IUPAC2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC12CC3CC(C1)CC(CC(=O)N(C)C)(C3)C2
InChIInChI=1S/C18H30N2O2/c1-19(2)15(21)10-17-6-13-5-14(7-17)9-18(8-13,12-17)11-16(22)20(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZWPBZDBPCMFTSS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.53
Rot. Bonds4

About 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide

2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide (PubChem CID 2882420) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
PubChem CID2882420
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC12CC3CC(C1)CC(CC(=O)N(C)C)(C3)C2
InChIInChI=1S/C18H30N2O2/c1-19(2)15(21)10-17-6-13-5-14(7-17)9-18(8-13,12-17)11-16(22)20(3)4/h13-14H,5-12H2,1-4H3
InChIKeyZWPBZDBPCMFTSS-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
CID 43169963
2-(3-ethyl-1-adamantyl)acetic acid
CID 3855143
2-(1-adamantyl)-N-(2-bromoethyl)-N-methylacetamide
CID 80658944
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442602
2-(1-adamantyl)-N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555837
2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide
CID 78909540
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-methylacetamide
CID 9277338
2-(3-methyl-1-adamantyl)acetate
CID 5175229
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
1-(1-adamantyl)propan-2-one;methane
CID 157057031
2-[2-[3-[2-[2-(dimethylazaniumyl)ethoxy]-2-oxoethyl]-1-adamantyl]acetyl]oxyethyl-dimethylazanium
CID 4288274
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 98421689

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide (CID 2882420) is 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide is CN(C)C(=O)CC12CC3CC(C1)CC(CC(=O)N(C)C)(C3)C2.
What is the InChIKey of 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide?
The InChIKey is ZWPBZDBPCMFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19(2)15(21)10-17-6-13-5-14(7-17)9-18(8-13,12-17)11-16(22)20(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide?
2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide has a molecular weight of 306.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide is sourced from PubChem (CID 2882420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).