2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide

C14H25NO — CID 166540472

IUPAC2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
SMILESCNC(=O)CC12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C14H25NO/c1-10-4-12-5-11(2)7-14(6-10,8-12)9-13(16)15-3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyRLWSUIYSPSZGBK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.97
Rot. Bonds2

About 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide

2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide (PubChem CID 166540472) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
PubChem CID166540472
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
SMILESCNC(=O)CC12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C14H25NO/c1-10-4-12-5-11(2)7-14(6-10,8-12)9-13(16)15-3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyRLWSUIYSPSZGBK-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
2-(1-adamantyl)-N-oxidoacetamide
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2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide?
The IUPAC name of 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide (CID 166540472) is 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide?
The canonical SMILES for 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide is CNC(=O)CC12CC(C)CC(CC(C)C1)C2.
What is the InChIKey of 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide?
The InChIKey is RLWSUIYSPSZGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-4-12-5-11(2)7-14(6-10,8-12)9-13(16)15-3/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide?
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide has a molecular weight of 223.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide is sourced from PubChem (CID 166540472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).