N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C18H27ClN2O4 — CID 108526291

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C18H27ClN2O4/c1-17(2,3)10-18(4,5)21-16(23)15(22)20-12-9-13(24-6)11(19)8-14(12)25-7/h8-9H,10H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyNJIGUXATLPHCHO-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.63
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526291) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526291
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C18H27ClN2O4/c1-17(2,3)10-18(4,5)21-16(23)15(22)20-12-9-13(24-6)11(19)8-14(12)25-7/h8-9H,10H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyNJIGUXATLPHCHO-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)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'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
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
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
N-tert-butyl-N'-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108966057
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526291) is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is NJIGUXATLPHCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-17(2,3)10-18(4,5)21-16(23)15(22)20-12-9-13(24-6)11(19)8-14(12)25-7/h8-9H,10H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 370.88 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).