N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide

C20H30FN3O — CID 138716384

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
SMILESCCC(CC)(C(=O)NCCN(C)C)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C20H30FN3O/c1-5-20(6-2,19(25)22-12-13-24(3)4)18-11-10-17(23-18)15-8-7-9-16(21)14-15/h7-9,14,18H,5-6,10-13H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyLCVURFBOIUKQDW-GOSISDBHSA-N
MW347.48 g/mol
LogP3.26
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide

N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide (PubChem CID 138716384) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
PubChem CID138716384
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
SMILESCCC(CC)(C(=O)NCCN(C)C)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C20H30FN3O/c1-5-20(6-2,19(25)22-12-13-24(3)4)18-11-10-17(23-18)15-8-7-9-16(21)14-15/h7-9,14,18H,5-6,10-13H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyLCVURFBOIUKQDW-GOSISDBHSA-N
XLogP3.26
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide (CID 138716384) is N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide is CCC(CC)(C(=O)NCCN(C)C)[C@H]1CCC(c2cccc(F)c2)=N1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The InChIKey is LCVURFBOIUKQDW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-5-20(6-2,19(25)22-12-13-24(3)4)18-11-10-17(23-18)15-8-7-9-16(21)14-15/h7-9,14,18H,5-6,10-13H2,1-4H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide has a molecular weight of 347.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide is sourced from PubChem (CID 138716384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).