N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide

C17H25ClN2O2 — CID 2291750

IUPACN'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-4-6-7-13(5-2)11-19-16(21)17(22)20-14-9-8-12(3)15(18)10-14/h8-10,13H,4-7,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXRILPSYFPJRDDG-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.92
Rot. Bonds7

About N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide (PubChem CID 2291750) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
PubChem CID2291750
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-4-6-7-13(5-2)11-19-16(21)17(22)20-14-9-8-12(3)15(18)10-14/h8-10,13H,4-7,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXRILPSYFPJRDDG-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
ethyl 2-[4-[[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]methyl]anilino]-2-oxoacetate;N-(2-ethylhexyl)-N'-[4-[[4-[[2-(2-ethylhexylamino)-2-oxoacetyl]amino]phenyl]methyl]phenyl]oxamide
CID 161032414
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide (CID 2291750) is N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide?
The InChIKey is XRILPSYFPJRDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-6-7-13(5-2)11-19-16(21)17(22)20-14-9-8-12(3)15(18)10-14/h8-10,13H,4-7,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide has a molecular weight of 324.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide is sourced from PubChem (CID 2291750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).