5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide

C23H27N3O5 — CID 55980089

IUPAC5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCC(C2CCOC2)N2CCOCC2)o1
InChIInChI=1S/C23H27N3O5/c24-13-17-3-1-2-4-21(17)30-16-19-5-6-22(31-19)23(27)25-14-20(18-7-10-29-15-18)26-8-11-28-12-9-26/h1-6,18,20H,7-12,14-16H2,(H,25,27)
InChIKeyXQBHWSSQRGUGIT-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.20
Rot. Bonds8

About 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide (PubChem CID 55980089) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide
PubChem CID55980089
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCC(C2CCOC2)N2CCOCC2)o1
InChIInChI=1S/C23H27N3O5/c24-13-17-3-1-2-4-21(17)30-16-19-5-6-22(31-19)23(27)25-14-20(18-7-10-29-15-18)26-8-11-28-12-9-26/h1-6,18,20H,7-12,14-16H2,(H,25,27)
InChIKeyXQBHWSSQRGUGIT-UHFFFAOYSA-N
XLogP2.20
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 52512133
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
3-ethoxy-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55682964
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
CID 95783263
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
CID 55843016
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide (CID 55980089) is 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)NCC(C2CCOC2)N2CCOCC2)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is XQBHWSSQRGUGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c24-13-17-3-1-2-4-21(17)30-16-19-5-6-22(31-19)23(27)25-14-20(18-7-10-29-15-18)26-8-11-28-12-9-26/h1-6,18,20H,7-12,14-16H2,(H,25,27).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 55980089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).