N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

C13H17ClN2O4 — CID 90501064

IUPACN'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c1-13(19,8-20-2)7-15-11(17)12(18)16-10-5-3-4-9(14)6-10/h3-6,19H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPVFSQBMFJQECRT-UHFFFAOYSA-N
MW300.74 g/mol
LogP0.79
Rot. Bonds5

About N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (PubChem CID 90501064) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
PubChem CID90501064
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC NameN'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c1-13(19,8-20-2)7-15-11(17)12(18)16-10-5-3-4-9(14)6-10/h3-6,19H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPVFSQBMFJQECRT-UHFFFAOYSA-N
XLogP0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
methyl N-(3-chlorophenyl)carbamate
CID 16529
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-(2-ethoxyphenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501078
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (CID 90501064) is N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is COCC(C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The InChIKey is PVFSQBMFJQECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-13(19,8-20-2)7-15-11(17)12(18)16-10-5-3-4-9(14)6-10/h3-6,19H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide has a molecular weight of 300.74 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is sourced from PubChem (CID 90501064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).