N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide

C14H22N2O4 — CID 81219393

IUPACN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
SMILESCC1COC(CO)CN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O4/c1-10-9-20-13(8-17)7-16(10)11(2)14(18)15-6-12-4-3-5-19-12/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,15,18)
InChIKeyLQCLAZPXBPTUJH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.37
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide

N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide (PubChem CID 81219393) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
PubChem CID81219393
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
SMILESCC1COC(CO)CN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O4/c1-10-9-20-13(8-17)7-16(10)11(2)14(18)15-6-12-4-3-5-19-12/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,15,18)
InChIKeyLQCLAZPXBPTUJH-UHFFFAOYSA-N
XLogP0.37
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81204637
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide (CID 81219393) is N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide is CC1COC(CO)CN1C(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The InChIKey is LQCLAZPXBPTUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10-9-20-13(8-17)7-16(10)11(2)14(18)15-6-12-4-3-5-19-12/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide is sourced from PubChem (CID 81219393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).