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

C20H25N3O4 — CID 12006013

IUPACN'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-15-4-6-16(7-5-15)13-21-19(24)20(25)22-14-17(18-3-2-10-27-18)23-8-11-26-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyMJNWXSVOISNWKO-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.39
Rot. Bonds6

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

N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 12006013) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID12006013
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-15-4-6-16(7-5-15)13-21-19(24)20(25)22-14-17(18-3-2-10-27-18)23-8-11-26-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyMJNWXSVOISNWKO-UHFFFAOYSA-N
XLogP1.39
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.39
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'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 12006013) is N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC(c2ccco2)N2CCOCC2)cc1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is MJNWXSVOISNWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-4-6-16(7-5-15)13-21-19(24)20(25)22-14-17(18-3-2-10-27-18)23-8-11-26-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 371.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 12006013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).