4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide

C24H24N2O3 — CID 110426389

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C24H24N2O3/c27-24(10-4-6-19-11-12-22-23(16-19)29-15-14-28-22)26(21-8-2-1-3-9-21)18-20-7-5-13-25-17-20/h1-3,5,7-9,11-13,16-17H,4,6,10,14-15,18H2
InChIKeyOFSXJMCZDRKUSC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.41
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110426389) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110426389
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C24H24N2O3/c27-24(10-4-6-19-11-12-22-23(16-19)29-15-14-28-22)26(21-8-2-1-3-9-21)18-20-7-5-13-25-17-20/h1-3,5,7-9,11-13,16-17H,4,6,10,14-15,18H2
InChIKeyOFSXJMCZDRKUSC-UHFFFAOYSA-N
XLogP4.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-bis(pyridin-3-ylmethyl)methanamine
CID 23766878
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
3-morpholin-4-ylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110618751
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(4-phenylbutyl)propanamide
CID 112837372
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110633693
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 18572585
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 8850570
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide (CID 110426389) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCc1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is OFSXJMCZDRKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(10-4-6-19-11-12-22-23(16-19)29-15-14-28-22)26(21-8-2-1-3-9-21)18-20-7-5-13-25-17-20/h1-3,5,7-9,11-13,16-17H,4,6,10,14-15,18H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 388.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110426389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).