N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide

C14H19ClN2O4 — CID 108506924

IUPACN'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-14(2,3)17-13(19)12(18)16-9-7-10(20-4)8(15)6-11(9)21-5/h6-7H,1-5H3,(H,16,18)(H,17,19)
InChIKeyLZYPHUDLHPPBCZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.21
Rot. Bonds3

About N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide

N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide (PubChem CID 108506924) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
PubChem CID108506924
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-14(2,3)17-13(19)12(18)16-9-7-10(20-4)8(15)6-11(9)21-5/h6-7H,1-5H3,(H,16,18)(H,17,19)
InChIKeyLZYPHUDLHPPBCZ-UHFFFAOYSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532290
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526291
N-tert-butyl-N'-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108966057
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
N'-(2-amino-5-methylphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108532284

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide (CID 108506924) is N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)C)c(OC)cc1Cl.
What is the InChIKey of N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The InChIKey is LZYPHUDLHPPBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-14(2,3)17-13(19)12(18)16-9-7-10(20-4)8(15)6-11(9)21-5/h6-7H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide?
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide has a molecular weight of 314.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide is sourced from PubChem (CID 108506924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).