3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C22H25NO3 — CID 42925146

IUPAC3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25NO3/c1-15(18-9-8-17-4-2-3-5-19(17)13-18)23-22(24)11-7-16-6-10-20-21(12-16)26-14-25-20/h6,8-10,12-13,15H,2-5,7,11,14H2,1H3,(H,23,24)
InChIKeyGFLPLCQODWMIGU-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.10
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 42925146) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
PubChem CID42925146
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25NO3/c1-15(18-9-8-17-4-2-3-5-19(17)13-18)23-22(24)11-7-16-6-10-20-21(12-16)26-14-25-20/h6,8-10,12-13,15H,2-5,7,11,14H2,1H3,(H,23,24)
InChIKeyGFLPLCQODWMIGU-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
CID 133185949
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 1,3-benzodioxole-5-carboxylate
CID 18196903
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 8012716
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188775

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 42925146) is 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is CC(NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The InChIKey is GFLPLCQODWMIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15(18-9-8-17-4-2-3-5-19(17)13-18)23-22(24)11-7-16-6-10-20-21(12-16)26-14-25-20/h6,8-10,12-13,15H,2-5,7,11,14H2,1H3,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 42925146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).