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

C22H24N2O5 — CID 110426277

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H24N2O5/c25-19(16-4-6-20-21(14-16)29-13-12-28-20)5-7-22(26)23-17-2-1-3-18(15-17)24-8-10-27-11-9-24/h1-4,6,14-15H,5,7-13H2,(H,23,26)
InChIKeyHWUNNJDEWJKLKE-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.90
Rot. Bonds6

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 110426277) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID110426277
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H24N2O5/c25-19(16-4-6-20-21(14-16)29-13-12-28-20)5-7-22(26)23-17-2-1-3-18(15-17)24-8-10-27-11-9-24/h1-4,6,14-15H,5,7-13H2,(H,23,26)
InChIKeyHWUNNJDEWJKLKE-UHFFFAOYSA-N
XLogP2.90
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 51193915
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110344578
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 60567580
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
CID 110344553
4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 55814159
3-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 55978944

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide (CID 110426277) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is HWUNNJDEWJKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-19(16-4-6-20-21(14-16)29-13-12-28-20)5-7-22(26)23-17-2-1-3-18(15-17)24-8-10-27-11-9-24/h1-4,6,14-15H,5,7-13H2,(H,23,26).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 396.44 g/mol, XLogP of 2.90, 6 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-(3-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110426277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).