N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C14H19ClN2O5 — CID 108532290

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CO)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-14(2,7-18)17-13(20)12(19)16-9-6-10(21-3)8(15)5-11(9)22-4/h5-6,18H,7H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyDTKNWQFKFAZGJS-UHFFFAOYSA-N
MW330.77 g/mol
LogP1.18
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108532290) has the molecular formula C14H19ClN2O5 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108532290
Molecular FormulaC14H19ClN2O5
Molecular Weight330.77 g/mol
Exact Mass330.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CO)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O5/c1-14(2,7-18)17-13(20)12(19)16-9-6-10(21-3)8(15)5-11(9)22-4/h5-6,18H,7H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyDTKNWQFKFAZGJS-UHFFFAOYSA-N
XLogP1.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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)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
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509414

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108532290) is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CO)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is DTKNWQFKFAZGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5/c1-14(2,7-18)17-13(20)12(19)16-9-6-10(21-3)8(15)5-11(9)22-4/h5-6,18H,7H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 330.77 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108532290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).