N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C23H23F3N2O3 — CID 55595162

IUPACN-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)CCN1C(=O)COc2ccccc21)C1CC1
InChIInChI=1S/C23H23F3N2O3/c1-15(16-5-4-6-17(13-16)23(24,25)26)28(18-9-10-18)21(29)11-12-27-19-7-2-3-8-20(19)31-14-22(27)30/h2-8,13,15,18H,9-12,14H2,1H3
InChIKeyRUUDCALEZUVPAK-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.57
Rot. Bonds6

About N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 55595162) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID55595162
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)CCN1C(=O)COc2ccccc21)C1CC1
InChIInChI=1S/C23H23F3N2O3/c1-15(16-5-4-6-17(13-16)23(24,25)26)28(18-9-10-18)21(29)11-12-27-19-7-2-3-8-20(19)31-14-22(27)30/h2-8,13,15,18H,9-12,14H2,1H3
InChIKeyRUUDCALEZUVPAK-UHFFFAOYSA-N
XLogP4.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 55595162) is N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(c1cccc(C(F)(F)F)c1)N(C(=O)CCN1C(=O)COc2ccccc21)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is RUUDCALEZUVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-15(16-5-4-6-17(13-16)23(24,25)26)28(18-9-10-18)21(29)11-12-27-19-7-2-3-8-20(19)31-14-22(27)30/h2-8,13,15,18H,9-12,14H2,1H3.
What are the key properties of N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 432.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55595162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).