N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide

C26H30N2O5 — CID 70247374

IUPACN-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)N[C@H](CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H30N2O5/c29-22(19-7-2-1-3-8-19)9-6-10-25(30)27-21(18-28-13-4-5-14-28)26(31)20-11-12-23-24(17-20)33-16-15-32-23/h1-3,7-8,11-12,17,21H,4-6,9-10,13-16,18H2,(H,27,30)/t21-/m1/s1
InChIKeyZVSHNLAWUOOFAY-OAQYLSRUSA-N
MW450.54 g/mol
LogP3.27
Rot. Bonds10

About N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide

N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide (PubChem CID 70247374) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide
PubChem CID70247374
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)N[C@H](CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H30N2O5/c29-22(19-7-2-1-3-8-19)9-6-10-25(30)27-21(18-28-13-4-5-14-28)26(31)20-11-12-23-24(17-20)33-16-15-32-23/h1-3,7-8,11-12,17,21H,4-6,9-10,13-16,18H2,(H,27,30)/t21-/m1/s1
InChIKeyZVSHNLAWUOOFAY-OAQYLSRUSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide
CID 25262253
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]-7-oxo-7-phenylheptanamide
CID 91094728
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 59530761
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-7-(4-ethylphenyl)-7-oxoheptanamide
CID 149333264
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]-5-(3,4-dimethoxyphenyl)-5-oxopentanamide
CID 148852268
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[4-(2-methoxyethoxy)phenyl]-3-methyl-2-(pyrrolidin-1-ylmethyl)octane-1,4,8-trione
CID 143865866
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-4-phenylbenzamide
CID 74389872
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
CID 110344553
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 70230572
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
CID 21228902

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide (CID 70247374) is N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)N[C@H](CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide?
The InChIKey is ZVSHNLAWUOOFAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N2O5/c29-22(19-7-2-1-3-8-19)9-6-10-25(30)27-21(18-28-13-4-5-14-28)26(31)20-11-12-23-24(17-20)33-16-15-32-23/h1-3,7-8,11-12,17,21H,4-6,9-10,13-16,18H2,(H,27,30)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide?
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide has a molecular weight of 450.54 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 70247374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).