3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide

C20H37FN2O4 — CID 145135171

IUPAC3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
SMILESCCC(C)C(C)C(CC(=O)N1CC(F)CC1C(OC)C(C)C(=O)NC)OC
InChIInChI=1S/C20H37FN2O4/c1-8-12(2)13(3)17(26-6)10-18(24)23-11-15(21)9-16(23)19(27-7)14(4)20(25)22-5/h12-17,19H,8-11H2,1-7H3,(H,22,25)
InChIKeyAUUKIJNEIRIYKD-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.41
Rot. Bonds10

About 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide

3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide (PubChem CID 145135171) has the molecular formula C20H37FN2O4 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
PubChem CID145135171
Molecular FormulaC20H37FN2O4
Molecular Weight388.52 g/mol
Exact Mass388.27
IUPAC Name3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
SMILESCCC(C)C(C)C(CC(=O)N1CC(F)CC1C(OC)C(C)C(=O)NC)OC
InChIInChI=1S/C20H37FN2O4/c1-8-12(2)13(3)17(26-6)10-18(24)23-11-15(21)9-16(23)19(27-7)14(4)20(25)22-5/h12-17,19H,8-11H2,1-7H3,(H,22,25)
InChIKeyAUUKIJNEIRIYKD-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
Fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
CID 169183615
N-(7-amino-7-oxoheptyl)-N-fluoro-3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanamide
CID 142398729
4-(Dimethylamino)-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methylheptan-1-one
CID 145134951
N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide
CID 145135099
N-[2-[[1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-propan-2-ylpentanamide
CID 145135127
4-Butan-2-yl-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxyoctan-1-one
CID 145135146
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
N-(2-fluoroethyl)-3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanamide
CID 172288781
N-[2-[[1-[2-[3-(2-fluoroethylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(sulfanylamino)butanamide
CID 172288792
5,6-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]heptanamide
CID 17928486
N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
CID 20708624

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide?
The IUPAC name of 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide (CID 145135171) is 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide is CCC(C)C(C)C(CC(=O)N1CC(F)CC1C(OC)C(C)C(=O)NC)OC.
What is the InChIKey of 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide?
The InChIKey is AUUKIJNEIRIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN2O4/c1-8-12(2)13(3)17(26-6)10-18(24)23-11-15(21)9-16(23)19(27-7)14(4)20(25)22-5/h12-17,19H,8-11H2,1-7H3,(H,22,25).
What are the key properties of 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide?
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 145135171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).