N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide

C23H32N4O6 — CID 16809973

IUPACN'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)C(=O)NCC(OC)OC)c3ccco3)CC2)cc1
InChIInChI=1S/C23H32N4O6/c1-30-18-8-6-17(7-9-18)26-10-12-27(13-11-26)19(20-5-4-14-33-20)15-24-22(28)23(29)25-16-21(31-2)32-3/h4-9,14,19,21H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHBRZAGFXFCLPPK-UHFFFAOYSA-N
MW460.53 g/mol
LogP1.00
Rot. Bonds10

About N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide

N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 16809973) has the molecular formula C23H32N4O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID16809973
Molecular FormulaC23H32N4O6
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC NameN'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)C(=O)NCC(OC)OC)c3ccco3)CC2)cc1
InChIInChI=1S/C23H32N4O6/c1-30-18-8-6-17(7-9-18)26-10-12-27(13-11-26)19(20-5-4-14-33-20)15-24-22(28)23(29)25-16-21(31-2)32-3/h4-9,14,19,21H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHBRZAGFXFCLPPK-UHFFFAOYSA-N
XLogP1.00
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 7163023
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7163043
N'-cyclopentyl-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 41234806
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (CID 16809973) is N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is COc1ccc(N2CCN(C(CNC(=O)C(=O)NCC(OC)OC)c3ccco3)CC2)cc1.
What is the InChIKey of N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is HBRZAGFXFCLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6/c1-30-18-8-6-17(7-9-18)26-10-12-27(13-11-26)19(20-5-4-14-33-20)15-24-22(28)23(29)25-16-21(31-2)32-3/h4-9,14,19,21H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 460.53 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 16809973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).