4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide

C19H22N2O4 — CID 71877736

IUPAC4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1occc1CN(C)C(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14-16(8-9-25-14)11-20(2)19(23)17-12-24-13-18(22)21(17)10-15-6-4-3-5-7-15/h3-9,17H,10-13H2,1-2H3
InChIKeyAYBSLFIZFNVGEV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds5

About 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide

4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 71877736) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID71877736
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1occc1CN(C)C(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14-16(8-9-25-14)11-20(2)19(23)17-12-24-13-18(22)21(17)10-15-6-4-3-5-7-15/h3-9,17H,10-13H2,1-2H3
InChIKeyAYBSLFIZFNVGEV-UHFFFAOYSA-N
XLogP1.97
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide (CID 71877736) is 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide is Cc1occc1CN(C)C(=O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is AYBSLFIZFNVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-16(8-9-25-14)11-20(2)19(23)17-12-24-13-18(22)21(17)10-15-6-4-3-5-7-15/h3-9,17H,10-13H2,1-2H3.
What are the key properties of 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide?
4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).