N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide

C26H30N4O4 — CID 16809801

IUPACN'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O4/c1-33-23-11-6-5-8-20(23)18-27-25(31)26(32)28-19-22(24-12-7-17-34-24)30-15-13-29(14-16-30)21-9-3-2-4-10-21/h2-12,17,22H,13-16,18-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyBDOUUGBCLFDHOH-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.58
Rot. Bonds8

About N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide

N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 16809801) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID16809801
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O4/c1-33-23-11-6-5-8-20(23)18-27-25(31)26(32)28-19-22(24-12-7-17-34-24)30-15-13-29(14-16-30)21-9-3-2-4-10-21/h2-12,17,22H,13-16,18-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyBDOUUGBCLFDHOH-UHFFFAOYSA-N
XLogP2.58
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.58
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'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
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-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 7162699

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide (CID 16809801) is N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is BDOUUGBCLFDHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-33-23-11-6-5-8-20(23)18-27-25(31)26(32)28-19-22(24-12-7-17-34-24)30-15-13-29(14-16-30)21-9-3-2-4-10-21/h2-12,17,22H,13-16,18-19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 462.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 16809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).