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

C20H25N3O5 — CID 7217228

IUPACN'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)13-21-19(24)20(25)22-14-17(18-3-2-10-28-18)23-8-11-27-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyBBEFTNYLOYWKQF-QGZVFWFLSA-N
MW387.44 g/mol
LogP1.09
Rot. Bonds7

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

N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 7217228) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID7217228
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)13-21-19(24)20(25)22-14-17(18-3-2-10-28-18)23-8-11-27-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyBBEFTNYLOYWKQF-QGZVFWFLSA-N
XLogP1.09
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(4-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932457
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-hydroxyethyl)oxamide
CID 7163027
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7163067
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 7217228) is N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1.
What is the InChIKey of N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is BBEFTNYLOYWKQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-16-6-4-15(5-7-16)13-21-19(24)20(25)22-14-17(18-3-2-10-28-18)23-8-11-27-12-9-23/h2-7,10,17H,8-9,11-14H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 387.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 7217228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).