N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide

C23H21NO3 — CID 2932804

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H21NO3/c25-23(24-19-11-12-21-22(15-19)27-14-13-26-21)16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,24,25)
InChIKeyIPHXJVYRKKJIQP-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.62
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide (PubChem CID 2932804) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide
PubChem CID2932804
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H21NO3/c25-23(24-19-11-12-21-22(15-19)27-14-13-26-21)16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,24,25)
InChIKeyIPHXJVYRKKJIQP-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amg-9810
CID 680502
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
CeMMEC13
CID 110694558
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide (CID 2932804) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide?
The InChIKey is IPHXJVYRKKJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-23(24-19-11-12-21-22(15-19)27-14-13-26-21)16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide has a molecular weight of 359.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 2932804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).