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

C24H23NO4 — CID 9166024

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
SMILESC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H23NO4/c1-17(19-11-12-22-23(15-19)28-14-13-27-22)25-24(26)20-9-5-6-10-21(20)29-16-18-7-3-2-4-8-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyBEPVISYYPZOBSF-QGZVFWFLSA-N
MW389.45 g/mol
LogP4.53
Rot. Bonds6

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

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide (PubChem CID 9166024) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
PubChem CID9166024
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
SMILESC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H23NO4/c1-17(19-11-12-22-23(15-19)28-14-13-27-22)25-24(26)20-9-5-6-10-21(20)29-16-18-7-3-2-4-8-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyBEPVISYYPZOBSF-QGZVFWFLSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 42916620
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
CID 82712701
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 43026214
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide (CID 9166024) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide is C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide?
The InChIKey is BEPVISYYPZOBSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(19-11-12-22-23(15-19)28-14-13-27-22)25-24(26)20-9-5-6-10-21(20)29-16-18-7-3-2-4-8-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide has a molecular weight of 389.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 9166024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).