N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

C18H25F3N2O6 — CID 154886122

IUPACN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCCO1)N(CCN1CCOCC1)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O4.C2HF3O2/c19-16(15-4-2-10-22-15)18(13-14-3-1-9-21-14)6-5-17-7-11-20-12-8-17;3-2(4,5)1(6)7/h1,3,9,15H,2,4-8,10-13H2;(H,6,7)
InChIKeyRSIXKTNUWOONMA-UHFFFAOYSA-N
MW422.40 g/mol
LogP1.75
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154886122) has the molecular formula C18H25F3N2O6 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154886122
Molecular FormulaC18H25F3N2O6
Molecular Weight422.40 g/mol
Exact Mass422.17
IUPAC NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCCO1)N(CCN1CCOCC1)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O4.C2HF3O2/c19-16(15-4-2-10-22-15)18(13-14-3-1-9-21-14)6-5-17-7-11-20-12-8-17;3-2(4,5)1(6)7/h1,3,9,15H,2,4-8,10-13H2;(H,6,7)
InChIKeyRSIXKTNUWOONMA-UHFFFAOYSA-N
XLogP1.75
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
N-(furan-2-ylmethyl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)acetamide
CID 46995671
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4145732
N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 5211176
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4983558
3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5031935
3-fluoro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 3371918
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154886122) is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(C1CCCO1)N(CCN1CCOCC1)Cc1ccco1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RSIXKTNUWOONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.C2HF3O2/c19-16(15-4-2-10-22-15)18(13-14-3-1-9-21-14)6-5-17-7-11-20-12-8-17;3-2(4,5)1(6)7/h1,3,9,15H,2,4-8,10-13H2;(H,6,7).
What are the key properties of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 422.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).