2-(1-adamantyl)-N,N-dimethylacetamide

C14H23NO — CID 3913958

IUPAC2-(1-adamantyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15(2)13(16)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3
InChIKeyNIBRCFLQLASDFB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.68
Rot. Bonds2

About 2-(1-adamantyl)-N,N-dimethylacetamide

2-(1-adamantyl)-N,N-dimethylacetamide (PubChem CID 3913958) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N,N-dimethylacetamide
PubChem CID3913958
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(1-adamantyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15(2)13(16)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3
InChIKeyNIBRCFLQLASDFB-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Adamantan-1-yl-piperidin-1-yl-methanone
CID 584509
Adamantan-1-yl(pyrrolidin-1-yl)methanone
CID 2741656
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N,N-Dimethyl-1-adamantylcarboxamide
CID 137044
3-chloro-N,N-diethyladamantane-1-carboxamide
CID 567974
3-bromo-N,N-diethyladamantane-1-carboxamide
CID 3306503
N,N-Diisopropyl-1-adamantanecarboxamide
CID 369222
1-(1-Adamantylacetyl)pyrrolidine
CID 2835983
N-butyladamantane-1-carboxamide
CID 585486
N,N-diethyladamantane-1-carboxamide
CID 4237171
[3-(1-Adamantyl)-3-oxopropyl](trimethyl)ammonium iodide
CID 2775568

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1-adamantyl)-N,N-dimethylacetamide (CID 3913958) is 2-(1-adamantyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N,N-dimethylacetamide is CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N,N-dimethylacetamide?
The InChIKey is NIBRCFLQLASDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15(2)13(16)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-N,N-dimethylacetamide?
2-(1-adamantyl)-N,N-dimethylacetamide has a molecular weight of 221.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N,N-dimethylacetamide is sourced from PubChem (CID 3913958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).