N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide

C18H32FN3O4 — CID 145135099

IUPACN-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide
SMILESCCC(C)C(C(CC(=O)N1CC(F)CC1C)OC)N(C)C(=O)CNC=O
InChIInChI=1S/C18H32FN3O4/c1-6-12(2)18(21(4)17(25)9-20-11-23)15(26-5)8-16(24)22-10-14(19)7-13(22)3/h11-15,18H,6-10H2,1-5H3,(H,20,23)
InChIKeyVWLHVZKODUVZED-UHFFFAOYSA-N
MW373.47 g/mol
LogP0.97
Rot. Bonds10

About N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide

N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide (PubChem CID 145135099) has the molecular formula C18H32FN3O4 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide
PubChem CID145135099
Molecular FormulaC18H32FN3O4
Molecular Weight373.47 g/mol
Exact Mass373.24
IUPAC NameN-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide
SMILESCCC(C)C(C(CC(=O)N1CC(F)CC1C)OC)N(C)C(=O)CNC=O
InChIInChI=1S/C18H32FN3O4/c1-6-12(2)18(21(4)17(25)9-20-11-23)15(26-5)8-16(24)22-10-14(19)7-13(22)3/h11-15,18H,6-10H2,1-5H3,(H,20,23)
InChIKeyVWLHVZKODUVZED-UHFFFAOYSA-N
XLogP0.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-[(3-methoxy-5-methyl-1-oxoheptan-4-yl)-methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 123560465
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
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
2-[(2,2-difluoroacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-propan-2-ylamino]ethyl]butanamide
CID 166157180
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
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
N-[5-[2-[4-(dimethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
CID 20708625
CID 53969752
CID 53969752
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(4S)-3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 54072508
(2S)-N-[(2S)-1-[[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 57544461

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide?
The IUPAC name of N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide (CID 145135099) is N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide.
What is the SMILES notation for N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide?
The canonical SMILES for N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide is CCC(C)C(C(CC(=O)N1CC(F)CC1C)OC)N(C)C(=O)CNC=O.
What is the InChIKey of N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide?
The InChIKey is VWLHVZKODUVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN3O4/c1-6-12(2)18(21(4)17(25)9-20-11-23)15(26-5)8-16(24)22-10-14(19)7-13(22)3/h11-15,18H,6-10H2,1-5H3,(H,20,23).
What are the key properties of N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide?
N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide has a molecular weight of 373.47 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide is sourced from PubChem (CID 145135099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).