N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide

C16H24N2O4 — CID 108504806

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O4/c1-10(2)9-17-15(19)16(20)18-11(3)12-6-7-13(21-4)14(8-12)22-5/h6-8,10-11H,9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyTWBUHHXGFDTELA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.65
Rot. Bonds6

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide (PubChem CID 108504806) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
PubChem CID108504806
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O4/c1-10(2)9-17-15(19)16(20)18-11(3)12-6-7-13(21-4)14(8-12)22-5/h6-8,10-11H,9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyTWBUHHXGFDTELA-UHFFFAOYSA-N
XLogP1.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.65
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'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide (CID 108504806) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)NCC(C)C)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide?
The InChIKey is TWBUHHXGFDTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(2)9-17-15(19)16(20)18-11(3)12-6-7-13(21-4)14(8-12)22-5/h6-8,10-11H,9H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 108504806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).