N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide

C14H20N2O4 — CID 44995689

IUPACN'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)8-15-13(17)14(18)16-11-7-10(19-3)5-6-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHBRVOERDUVCUBP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.41
Rot. Bonds5

About N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide

N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide (PubChem CID 44995689) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
PubChem CID44995689
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)8-15-13(17)14(18)16-11-7-10(19-3)5-6-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyHBRVOERDUVCUBP-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.41
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'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581690
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
CID 46983508
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108511953
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide (CID 44995689) is N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)NCC(C)C)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide?
The InChIKey is HBRVOERDUVCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)8-15-13(17)14(18)16-11-7-10(19-3)5-6-12(11)20-4/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide?
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide has a molecular weight of 280.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 44995689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).