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

C19H22N2O5 — CID 72837823

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C19H22N2O5/c22-19(14-9-15(24-12-14)11-21-5-7-23-8-6-21)20-10-16-13-25-17-3-1-2-4-18(17)26-16/h1-4,9,12,16H,5-8,10-11,13H2,(H,20,22)
InChIKeyUNOFDPFVLQSJMO-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.68
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 72837823) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID72837823
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C19H22N2O5/c22-19(14-9-15(24-12-14)11-21-5-7-23-8-6-21)20-10-16-13-25-17-3-1-2-4-18(17)26-16/h1-4,9,12,16H,5-8,10-11,13H2,(H,20,22)
InChIKeyUNOFDPFVLQSJMO-UHFFFAOYSA-N
XLogP1.68
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 97150277
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 41053021
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 72837823) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide is O=C(NCC1COc2ccccc2O1)c1coc(CN2CCOCC2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is UNOFDPFVLQSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-19(14-9-15(24-12-14)11-21-5-7-23-8-6-21)20-10-16-13-25-17-3-1-2-4-18(17)26-16/h1-4,9,12,16H,5-8,10-11,13H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 72837823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).