3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide

C20H23NO3 — CID 31946505

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(17-5-3-2-4-6-17)14-21-20(22)10-8-16-7-9-18-19(13-16)24-12-11-23-18/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyAOLSESCFZKWXMZ-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds6

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 31946505) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID31946505
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(17-5-3-2-4-6-17)14-21-20(22)10-8-16-7-9-18-19(13-16)24-12-11-23-18/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyAOLSESCFZKWXMZ-OAHLLOKOSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpropan-1-amine
CID 43182085
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 31950054
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18144830
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-phenylpropyl)acetamide
CID 133229153

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide (CID 31946505) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is AOLSESCFZKWXMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(17-5-3-2-4-6-17)14-21-20(22)10-8-16-7-9-18-19(13-16)24-12-11-23-18/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 31946505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).