N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide

C16H19F3N2O3 — CID 4320239

IUPACN-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCCO1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,21,23)
InChIKeyAEORHOVSCQRRRR-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.72
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide

N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide (PubChem CID 4320239) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
PubChem CID4320239
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCCO1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,21,23)
InChIKeyAEORHOVSCQRRRR-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide (CID 4320239) is N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide is O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The InChIKey is AEORHOVSCQRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1,3-4,9,13H,2,5-8,10H2,(H,20,22)(H,21,23).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide has a molecular weight of 344.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide is sourced from PubChem (CID 4320239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).