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

C26H25NO4 — CID 55334437

IUPACN,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H25NO4/c28-23(22-11-13-24-25(17-22)31-16-15-30-24)12-14-26(29)27(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-11,13,17H,12,14-16,18-19H2
InChIKeyFGKBFABDDRZURG-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.65
Rot. Bonds8

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

N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide (PubChem CID 55334437) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
PubChem CID55334437
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC NameN,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H25NO4/c28-23(22-11-13-24-25(17-22)31-16-15-30-24)12-14-26(29)27(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-11,13,17H,12,14-16,18-19H2
InChIKeyFGKBFABDDRZURG-UHFFFAOYSA-N
XLogP4.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N,N-dipropylbutanamide
CID 110344425
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 4102149
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52572835
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491157
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
CID 171668811

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide?
The IUPAC name of N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide (CID 55334437) is N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide.
What is the SMILES notation for N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide?
The canonical SMILES for N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide is O=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide?
The InChIKey is FGKBFABDDRZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c28-23(22-11-13-24-25(17-22)31-16-15-30-24)12-14-26(29)27(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-11,13,17H,12,14-16,18-19H2.
What are the key properties of N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide?
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide has a molecular weight of 415.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide is sourced from PubChem (CID 55334437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).