[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C24H31N3O5 — CID 42851016

IUPAC[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)o1)N1CCCC1
InChIInChI=1S/C24H31N3O5/c28-24(27-7-1-2-8-27)22-6-4-20(32-22)17-26(10-9-25-11-13-29-14-12-25)16-19-3-5-21-23(15-19)31-18-30-21/h3-6,15H,1-2,7-14,16-18H2
InChIKeyCJFRANCVQXOXAA-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.58
Rot. Bonds8

About [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42851016) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID42851016
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)o1)N1CCCC1
InChIInChI=1S/C24H31N3O5/c28-24(27-7-1-2-8-27)22-6-4-20(32-22)17-26(10-9-25-11-13-29-14-12-25)16-19-3-5-21-23(15-19)31-18-30-21/h3-6,15H,1-2,7-14,16-18H2
InChIKeyCJFRANCVQXOXAA-UHFFFAOYSA-N
XLogP2.58
TPSA67.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 46043649
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
CID 42851103
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
ethyl 4-[5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3936054
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 5086128
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42858013
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 5086130
[5-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42851033
methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
CID 46014958
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 42793348
[5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42753188
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(octylsulfonyl)amino]acetamide
CID 5116024

Frequently Asked Questions

What is the IUPAC name of [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 42851016) is [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)o1)N1CCCC1.
What is the InChIKey of [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CJFRANCVQXOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c28-24(27-7-1-2-8-27)22-6-4-20(32-22)17-26(10-9-25-11-13-29-14-12-25)16-19-3-5-21-23(15-19)31-18-30-21/h3-6,15H,1-2,7-14,16-18H2.
What are the key properties of [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 441.53 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42851016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).