N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C16H19N3O5 — CID 108740387

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)CC1=O
InChIInChI=1S/C16H19N3O5/c1-9(20)14-10(2)24-16(12(14)7-17)18-15(22)11-6-13(21)19(8-11)4-5-23-3/h11H,4-6,8H2,1-3H3,(H,18,22)
InChIKeyPMIQJOVQBYKCHW-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.10
Rot. Bonds6

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108740387) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108740387
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)CC1=O
InChIInChI=1S/C16H19N3O5/c1-9(20)14-10(2)24-16(12(14)7-17)18-15(22)11-6-13(21)19(8-11)4-5-23-3/h11H,4-6,8H2,1-3H3,(H,18,22)
InChIKeyPMIQJOVQBYKCHW-UHFFFAOYSA-N
XLogP1.10
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
methyl 4-(1,3-benzothiazol-2-yl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylfuran-3-carboxylate
CID 108738968
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
1-(2-methoxyethyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 136834843
1-(2-methoxyethyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 47162136
methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
CID 108746329
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108740387) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)CC1=O.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PMIQJOVQBYKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-9(20)14-10(2)24-16(12(14)7-17)18-15(22)11-6-13(21)19(8-11)4-5-23-3/h11H,4-6,8H2,1-3H3,(H,18,22).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108740387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).