ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate

C19H25F3N2O5 — CID 143030501

IUPACethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate
SMILESCC.CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F
InChIInChI=1S/C17H19F3N2O5.C2H6/c1-3-27-15(25)16(17(18,19)20,22-10-4-5-13(22)23)21-14(24)11-6-8-12(26-2)9-7-11;1-2/h6-9H,3-5,10H2,1-2H3,(H,21,24);1-2H3
InChIKeyFMXCWWOAXVNKRJ-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.90
Rot. Bonds6

About ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate

ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate (PubChem CID 143030501) has the molecular formula C19H25F3N2O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate
PubChem CID143030501
Molecular FormulaC19H25F3N2O5
Molecular Weight418.41 g/mol
Exact Mass418.17
IUPAC Nameethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate
SMILESCC.CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F
InChIInChI=1S/C17H19F3N2O5.C2H6/c1-3-27-15(25)16(17(18,19)20,22-10-4-5-13(22)23)21-14(24)11-6-8-12(26-2)9-7-11;1-2/h6-9H,3-5,10H2,1-2H3,(H,21,24);1-2H3
InChIKeyFMXCWWOAXVNKRJ-UHFFFAOYSA-N
XLogP2.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate (CID 143030501) is ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate is CC.CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F.
What is the InChIKey of ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate?
The InChIKey is FMXCWWOAXVNKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O5.C2H6/c1-3-27-15(25)16(17(18,19)20,22-10-4-5-13(22)23)21-14(24)11-6-8-12(26-2)9-7-11;1-2/h6-9H,3-5,10H2,1-2H3,(H,21,24);1-2H3.
What are the key properties of ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate?
ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate has a molecular weight of 418.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-(2-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 143030501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).