1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C16H26F3N3O2 — CID 71984628

IUPAC1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NC2CCCCC2C(F)(F)F)CC1=O
InChIInChI=1S/C16H26F3N3O2/c1-21(2)7-8-22-10-11(9-14(22)23)15(24)20-13-6-4-3-5-12(13)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,24)
InChIKeyNLPZMWZSOHXYSO-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.63
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 71984628) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID71984628
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NC2CCCCC2C(F)(F)F)CC1=O
InChIInChI=1S/C16H26F3N3O2/c1-21(2)7-8-22-10-11(9-14(22)23)15(24)20-13-6-4-3-5-12(13)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,24)
InChIKeyNLPZMWZSOHXYSO-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 71984628) is 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)NC2CCCCC2C(F)(F)F)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is NLPZMWZSOHXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-21(2)7-8-22-10-11(9-14(22)23)15(24)20-13-6-4-3-5-12(13)16(17,18)19/h11-13H,3-10H2,1-2H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71984628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).