N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C22H26N2O5 — CID 112793621

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC1COc2ccccc2O1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C22H26N2O5/c1-2-9-23(14-18-15-28-19-7-3-4-8-20(19)29-18)22(26)16-11-21(25)24(12-16)13-17-6-5-10-27-17/h3-8,10,16,18H,2,9,11-15H2,1H3
InChIKeyQKWZELGWIBOECZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.71
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 112793621) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID112793621
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC1COc2ccccc2O1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C22H26N2O5/c1-2-9-23(14-18-15-28-19-7-3-4-8-20(19)29-18)22(26)16-11-21(25)24(12-16)13-17-6-5-10-27-17/h3-8,10,16,18H,2,9,11-15H2,1H3
InChIKeyQKWZELGWIBOECZ-UHFFFAOYSA-N
XLogP2.71
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
(3S)-N'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 35563220
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 42905011
1-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78798897
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)urea
CID 51074106
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 112793621) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(CC1COc2ccccc2O1)C(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is QKWZELGWIBOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-9-23(14-18-15-28-19-7-3-4-8-20(19)29-18)22(26)16-11-21(25)24(12-16)13-17-6-5-10-27-17/h3-8,10,16,18H,2,9,11-15H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112793621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).