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

C21H31NO — CID 130268861

IUPAC2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide
SMILESCCNC(=O)CC1(C)CC2CC(C)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C21H31NO/c1-4-22-19(23)14-20(3)12-17-10-16(2)11-21(13-17,15-20)18-8-6-5-7-9-18/h5-9,16-17H,4,10-15H2,1-3H3,(H,22,23)
InChIKeyYWICXEUSOOQCLQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.69
Rot. Bonds4

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

2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide (PubChem CID 130268861) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide
PubChem CID130268861
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide
SMILESCCNC(=O)CC1(C)CC2CC(C)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C21H31NO/c1-4-22-19(23)14-20(3)12-17-10-16(2)11-21(13-17,15-20)18-8-6-5-7-9-18/h5-9,16-17H,4,10-15H2,1-3H3,(H,22,23)
InChIKeyYWICXEUSOOQCLQ-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 137435973
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 974905
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
N-(4-aminocyclohexyl)formamide;chloroethane;3,3,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
CID 142519942
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;fluoroethane
CID 142520005
chloroethane;N-[1-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)ethenyl]cyclohexanamine;methanamine
CID 142519904
N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 55368467
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
CID 142519896
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
methyl 7-(hydroxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxylate
CID 137436348

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide?
The IUPAC name of 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide (CID 130268861) is 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide.
What is the SMILES notation for 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide?
The canonical SMILES for 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide is CCNC(=O)CC1(C)CC2CC(C)CC(c3ccccc3)(C2)C1.
What is the InChIKey of 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide?
The InChIKey is YWICXEUSOOQCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-4-22-19(23)14-20(3)12-17-10-16(2)11-21(13-17,15-20)18-8-6-5-7-9-18/h5-9,16-17H,4,10-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide?
2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide has a molecular weight of 313.49 g/mol, XLogP of 4.69, 4 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-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide is sourced from PubChem (CID 130268861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).