3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

C21H29NO3 — CID 43063113

IUPAC3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC3CC2C2CCCC32)cc1OC
InChIInChI=1S/C21H29NO3/c1-24-19-8-6-13(10-20(19)25-2)7-9-21(23)22-18-12-14-11-17(18)16-5-3-4-15(14)16/h6,8,10,14-18H,3-5,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeySLEXGQASDGFUKJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.58
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (PubChem CID 43063113) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
PubChem CID43063113
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC3CC2C2CCCC32)cc1OC
InChIInChI=1S/C21H29NO3/c1-24-19-8-6-13(10-20(19)25-2)7-9-21(23)22-18-12-14-11-17(18)16-5-3-4-15(14)16/h6,8,10,14-18H,3-5,7,9,11-12H2,1-2H3,(H,22,23)
InChIKeySLEXGQASDGFUKJ-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124735238
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 133160744
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (CID 43063113) is 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is COc1ccc(CCC(=O)NC2CC3CC2C2CCCC32)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The InChIKey is SLEXGQASDGFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-19-8-6-13(10-20(19)25-2)7-9-21(23)22-18-12-14-11-17(18)16-5-3-4-15(14)16/h6,8,10,14-18H,3-5,7,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide has a molecular weight of 343.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is sourced from PubChem (CID 43063113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).