N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

C17H24N2O4 — CID 4550942

IUPACN'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-22-14-8-7-12(11-15(14)23-2)9-10-18-16(20)17(21)19-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIJYQXBOXYLCSKO-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.42
Rot. Bonds6

About N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (PubChem CID 4550942) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
PubChem CID4550942
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-22-14-8-7-12(11-15(14)23-2)9-10-18-16(20)17(21)19-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIJYQXBOXYLCSKO-UHFFFAOYSA-N
XLogP1.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
N-cyclohexyl-2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111214677
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (CID 4550942) is N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The InChIKey is IJYQXBOXYLCSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-8-7-12(11-15(14)23-2)9-10-18-16(20)17(21)19-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide has a molecular weight of 320.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 4550942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).