N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

C20H29F3N2O — CID 18755025

IUPACN-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CC)N1CCC(N(C)C(=O)CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H29F3N2O/c1-4-17(5-2)25-13-12-18(14-25)24(3)19(26)11-8-15-6-9-16(10-7-15)20(21,22)23/h6-7,9-10,17-18H,4-5,8,11-14H2,1-3H3
InChIKeyVZMWGQLYVPXPFT-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.36
Rot. Bonds7

About N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 18755025) has the molecular formula C20H29F3N2O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID18755025
Molecular FormulaC20H29F3N2O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC NameN-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CC)N1CCC(N(C)C(=O)CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H29F3N2O/c1-4-17(5-2)25-13-12-18(14-25)24(3)19(26)11-8-15-6-9-16(10-7-15)20(21,22)23/h6-7,9-10,17-18H,4-5,8,11-14H2,1-3H3
InChIKeyVZMWGQLYVPXPFT-UHFFFAOYSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 18755025) is N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is CCC(CC)N1CCC(N(C)C(=O)CCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VZMWGQLYVPXPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O/c1-4-17(5-2)25-13-12-18(14-25)24(3)19(26)11-8-15-6-9-16(10-7-15)20(21,22)23/h6-7,9-10,17-18H,4-5,8,11-14H2,1-3H3.
What are the key properties of N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 370.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 18755025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).