N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C13H15F3N2O3 — CID 3114001

IUPACN-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-21-7-3-6-17-11(19)12(20)18-10-5-2-4-9(8-10)13(14,15)16/h2,4-5,8H,3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYSWJYNQVKKXDDQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.80
Rot. Bonds5

About N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 3114001) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID3114001
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-21-7-3-6-17-11(19)12(20)18-10-5-2-4-9(8-10)13(14,15)16/h2,4-5,8H,3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYSWJYNQVKKXDDQ-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-(3,3-diethoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 172894057
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 3114001) is N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is COCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is YSWJYNQVKKXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-21-7-3-6-17-11(19)12(20)18-10-5-2-4-9(8-10)13(14,15)16/h2,4-5,8H,3,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 304.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 3114001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).