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

C14H22N2O4 — CID 81219868

IUPACN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H22N2O4/c1-11-10-20-13(9-17)7-16(11)8-14(18)15(2)6-12-4-3-5-19-12/h3-5,11,13,17H,6-10H2,1-2H3
InChIKeyHHEDJXSXTRWWNA-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.32
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (PubChem CID 81219868) 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]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
PubChem CID81219868
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
SMILESCC1COC(CO)CN1CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H22N2O4/c1-11-10-20-13(9-17)7-16(11)8-14(18)15(2)6-12-4-3-5-19-12/h3-5,11,13,17H,6-10H2,1-2H3
InChIKeyHHEDJXSXTRWWNA-UHFFFAOYSA-N
XLogP0.32
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219227
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
CID 62402252
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81219393
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 115963661
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 81204408
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide (CID 81219868) is N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide is CC1COC(CO)CN1CC(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
The InChIKey is HHEDJXSXTRWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-11-10-20-13(9-17)7-16(11)8-14(18)15(2)6-12-4-3-5-19-12/h3-5,11,13,17H,6-10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 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]-N-methylacetamide is sourced from PubChem (CID 81219868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).