N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H23F3N2O3 — CID 63710773

IUPACN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)COC
InChIInChI=1S/C13H23F3N2O3/c1-10(8-21-3)18(6-7-20-2)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,4-9H2,1-3H3
InChIKeyUCSATPBIJXGDLW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.04
Rot. Bonds7

About N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710773) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710773
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)COC
InChIInChI=1S/C13H23F3N2O3/c1-10(8-21-3)18(6-7-20-2)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,4-9H2,1-3H3
InChIKeyUCSATPBIJXGDLW-UHFFFAOYSA-N
XLogP1.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 55166694
N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80587697
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
2-propan-2-yloxyethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63710529
2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63722046
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242273

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710773) is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is COCCN(C(=O)C1(C(F)(F)F)CCNC1)C(C)COC.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UCSATPBIJXGDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-10(8-21-3)18(6-7-20-2)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).