N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

C19H23N3O4 — CID 12005984

IUPACN-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c23-18(20-13-15-5-2-1-3-6-15)19(24)21-14-16(17-7-4-10-26-17)22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,23)(H,21,24)
InChIKeyLQOMGXFSPVGZKA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.09
Rot. Bonds6

About N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 12005984) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID12005984
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c23-18(20-13-15-5-2-1-3-6-15)19(24)21-14-16(17-7-4-10-26-17)22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,23)(H,21,24)
InChIKeyLQOMGXFSPVGZKA-UHFFFAOYSA-N
XLogP1.09
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 12005984) is N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is O=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCOCC1.
What is the InChIKey of N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is LQOMGXFSPVGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(20-13-15-5-2-1-3-6-15)19(24)21-14-16(17-7-4-10-26-17)22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,23)(H,21,24).
What are the key properties of N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 357.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 12005984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).