N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide

C18H28N4O4 — CID 108517749

IUPACN'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1OCC
InChIInChI=1S/C18H28N4O4/c1-3-25-15-6-5-14(13-16(15)26-4-2)21-18(24)17(23)20-9-12-22-10-7-19-8-11-22/h5-6,13,19H,3-4,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRFVGNOLPRSMTIB-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.44
Rot. Bonds8

About N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517749) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517749
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1OCC
InChIInChI=1S/C18H28N4O4/c1-3-25-15-6-5-14(13-16(15)26-4-2)21-18(24)17(23)20-9-12-22-10-7-19-8-11-22/h5-6,13,19H,3-4,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRFVGNOLPRSMTIB-UHFFFAOYSA-N
XLogP0.44
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501365
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
N'-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268704
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 6737810
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8660334
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
1-(4-bromophenyl)-3-(2-piperazin-1-ylethyl)urea
CID 108869242

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108517749) is N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1OCC.
What is the InChIKey of N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is RFVGNOLPRSMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-3-25-15-6-5-14(13-16(15)26-4-2)21-18(24)17(23)20-9-12-22-10-7-19-8-11-22/h5-6,13,19H,3-4,7-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 364.45 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-diethoxyphenyl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).