[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C19H24F3NO3 — CID 55417695

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H24F3NO3/c1-12(2)23(13(3)4)18(25)14(5)26-17(24)10-9-15-7-6-8-16(11-15)19(20,21)22/h6-14H,1-5H3/b10-9+
InChIKeyHMUQGQYMSKGFPR-MDZDMXLPSA-N
MW371.40 g/mol
LogP4.30
Rot. Bonds6

About [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 55417695) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID55417695
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H24F3NO3/c1-12(2)23(13(3)4)18(25)14(5)26-17(24)10-9-15-7-6-8-16(11-15)19(20,21)22/h6-14H,1-5H3/b10-9+
InChIKeyHMUQGQYMSKGFPR-MDZDMXLPSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CID 55417695) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is CC(OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is HMUQGQYMSKGFPR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-12(2)23(13(3)4)18(25)14(5)26-17(24)10-9-15-7-6-8-16(11-15)19(20,21)22/h6-14H,1-5H3/b10-9+.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 371.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 55417695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).