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

C16H24N2O4 — CID 3102524

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(2)10-18-16(20)15(19)17-8-7-12-5-6-13(21-3)14(9-12)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDNCLHUYMDIXRGQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.13
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide (PubChem CID 3102524) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
PubChem CID3102524
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C16H24N2O4/c1-11(2)10-18-16(20)15(19)17-8-7-12-5-6-13(21-3)14(9-12)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDNCLHUYMDIXRGQ-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.13
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'-(2-methoxyethyl)oxamide
CID 2250640
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 43996628
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyiminopropanamide
CID 71964880
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide (CID 3102524) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide is COc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is DNCLHUYMDIXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)10-18-16(20)15(19)17-8-7-12-5-6-13(21-3)14(9-12)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 3102524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).