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N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide

C20H23NO3 — CID 99866264

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H23NO3/c1-14-3-5-16(6-4-14)7-10-20(22)21-15(2)17-8-9-18-19(13-17)24-12-11-23-18/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyYAWVPBQNHTWSBM-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.58
Rot. Bonds5

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 99866264) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID99866264
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H23NO3/c1-14-3-5-16(6-4-14)7-10-20(22)21-15(2)17-8-9-18-19(13-17)24-12-11-23-18/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyYAWVPBQNHTWSBM-OAHLLOKOSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 99866264) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is YAWVPBQNHTWSBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-3-5-16(6-4-14)7-10-20(22)21-15(2)17-8-9-18-19(13-17)24-12-11-23-18/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 99866264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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