2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

C24H23NO4 — CID 55359889

IUPAC2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C24H23NO4/c26-23(25-15-20-16-27-21-13-7-8-14-22(21)29-20)17-28-24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,24H,15-17H2,(H,25,26)
InChIKeyWPPTXSYAVPELGY-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.75
Rot. Bonds7

About 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (PubChem CID 55359889) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
PubChem CID55359889
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C24H23NO4/c26-23(25-15-20-16-27-21-13-7-8-14-22(21)29-20)17-28-24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,24H,15-17H2,(H,25,26)
InChIKeyWPPTXSYAVPELGY-UHFFFAOYSA-N
XLogP3.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7432771
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylsulfanylpropanamide
CID 2453420
2-(2-bromophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18171240
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 7434274
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7434232
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 41088932
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
(E)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobut-2-enoic acid
CID 51680372

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The IUPAC name of 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (CID 55359889) is 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The canonical SMILES for 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is O=C(COC(c1ccccc1)c1ccccc1)NCC1COc2ccccc2O1.
What is the InChIKey of 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The InChIKey is WPPTXSYAVPELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(25-15-20-16-27-21-13-7-8-14-22(21)29-20)17-28-24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,24H,15-17H2,(H,25,26).
What are the key properties of 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is sourced from PubChem (CID 55359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).