(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide

C19H22N2O4 — CID 97099656

IUPAC(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-2-20(10-16-8-9-24-12-16)19(23)17-13-25-14-18(22)21(17)11-15-6-4-3-5-7-15/h3-9,12,17H,2,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyXPAMPGMPUSDCDA-KRWDZBQOSA-N
MW342.39 g/mol
LogP2.06
Rot. Bonds6

About (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide

(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide (PubChem CID 97099656) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide
PubChem CID97099656
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-2-20(10-16-8-9-24-12-16)19(23)17-13-25-14-18(22)21(17)11-15-6-4-3-5-7-15/h3-9,12,17H,2,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyXPAMPGMPUSDCDA-KRWDZBQOSA-N
XLogP2.06
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide (CID 97099656) is (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide is CCN(Cc1ccoc1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is XPAMPGMPUSDCDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-20(10-16-8-9-24-12-16)19(23)17-13-25-14-18(22)21(17)11-15-6-4-3-5-7-15/h3-9,12,17H,2,10-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide?
(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 97099656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).