4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide

C24H26N2O6 — CID 32862262

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O6/c27-20(19-5-7-21-22(15-19)32-14-13-31-21)6-8-23(28)25-16-17-1-3-18(4-2-17)24(29)26-9-11-30-12-10-26/h1-5,7,15H,6,8-14,16H2,(H,25,28)
InChIKeyXHNNEIWGFQHRLP-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.21
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide (PubChem CID 32862262) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
PubChem CID32862262
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N2O6/c27-20(19-5-7-21-22(15-19)32-14-13-31-21)6-8-23(28)25-16-17-1-3-18(4-2-17)24(29)26-9-11-30-12-10-26/h1-5,7,15H,6,8-14,16H2,(H,25,28)
InChIKeyXHNNEIWGFQHRLP-UHFFFAOYSA-N
XLogP2.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanamide
CID 110344538
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 51155427
N-(4-acetamidobutyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 110355187
3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 32863090
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
N-benzyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 110368764
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
N-[3-(3,4-dichlorophenyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 60583514
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide (CID 32862262) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide?
The InChIKey is XHNNEIWGFQHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c27-20(19-5-7-21-22(15-19)32-14-13-31-21)6-8-23(28)25-16-17-1-3-18(4-2-17)24(29)26-9-11-30-12-10-26/h1-5,7,15H,6,8-14,16H2,(H,25,28).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide has a molecular weight of 438.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 32862262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).