N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C17H17F3N2O4 — CID 86996641

IUPACN-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)12-4-6-13(7-5-12)22-16(24)15(23)21-8-2-9-25-11-14-3-1-10-26-14/h1,3-7,10H,2,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyBYXQRYJCPCVZPH-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.96
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 86996641) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID86996641
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)12-4-6-13(7-5-12)22-16(24)15(23)21-8-2-9-25-11-14-3-1-10-26-14/h1,3-7,10H,2,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyBYXQRYJCPCVZPH-UHFFFAOYSA-N
XLogP2.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
N-[3-(furan-2-ylmethoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55529881
N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 87039475
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 86996641) is N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCCCOCc1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is BYXQRYJCPCVZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c18-17(19,20)12-4-6-13(7-5-12)22-16(24)15(23)21-8-2-9-25-11-14-3-1-10-26-14/h1,3-7,10H,2,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 370.33 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 86996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).