5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide

C13H19NO4 — CID 122558865

IUPAC5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCC2(COC)CC2)o1
InChIInChI=1S/C13H19NO4/c1-3-17-11-5-4-10(18-11)12(15)14-8-13(6-7-13)9-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyJTFYZFLBYCRMML-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.83
Rot. Bonds7

About 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide

5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide (PubChem CID 122558865) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide
PubChem CID122558865
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCC2(COC)CC2)o1
InChIInChI=1S/C13H19NO4/c1-3-17-11-5-4-10(18-11)12(15)14-8-13(6-7-13)9-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyJTFYZFLBYCRMML-UHFFFAOYSA-N
XLogP1.83
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 120888903
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
5-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 115271474
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
CID 122570668
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120890544
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368084
2-(ethylamino)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 72843561

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide (CID 122558865) is 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide is CCOc1ccc(C(=O)NCC2(COC)CC2)o1.
What is the InChIKey of 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide?
The InChIKey is JTFYZFLBYCRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-11-5-4-10(18-11)12(15)14-8-13(6-7-13)9-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15).
What are the key properties of 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide?
5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 122558865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).