N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide

C18H25NO2 — CID 133160744

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC3CCC2C3)cc1C
InChIInChI=1S/C18H25NO2/c1-12-9-13(4-7-17(12)21-2)5-8-18(20)19-16-11-14-3-6-15(16)10-14/h4,7,9,14-16H,3,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyVTGUJCLIVGVRHX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.24
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide

N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 133160744) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID133160744
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC3CCC2C3)cc1C
InChIInChI=1S/C18H25NO2/c1-12-9-13(4-7-17(12)21-2)5-8-18(20)19-16-11-14-3-6-15(16)10-14/h4,7,9,14-16H,3,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyVTGUJCLIVGVRHX-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3,4-dimethylphenyl)propanamide
CID 125057199
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
CID 41455014
3-(1,3-benzodioxol-5-yl)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 95196204
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100770300
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100561481
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide (CID 133160744) is N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CCC(=O)NC2CC3CCC2C3)cc1C.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is VTGUJCLIVGVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-9-13(4-7-17(12)21-2)5-8-18(20)19-16-11-14-3-6-15(16)10-14/h4,7,9,14-16H,3,5-6,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 133160744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).