(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate

C20H28N2O3 — CID 119038618

IUPAC(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate
SMILESCCN(CC)Cc1ccc(C(=O)OCC2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-3-21(4-2)12-15-5-7-17(8-6-15)20(24)25-14-16-11-19(23)22(13-16)18-9-10-18/h5-8,16,18H,3-4,9-14H2,1-2H3
InChIKeyKLYDMOJUAXQUKI-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.70
Rot. Bonds8

About (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate

(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate (PubChem CID 119038618) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate.

Molecular Properties

Compound Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate
PubChem CID119038618
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate
SMILESCCN(CC)Cc1ccc(C(=O)OCC2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-3-21(4-2)12-15-5-7-17(8-6-15)20(24)25-14-16-11-19(23)22(13-16)18-9-10-18/h5-8,16,18H,3-4,9-14H2,1-2H3
InChIKeyKLYDMOJUAXQUKI-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate
CID 97047531
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2,4-dimethylbenzoate
CID 97047499
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate
CID 75397933
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2-(4-iodophenyl)acetate
CID 99800520
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 97047508
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-fluoro-1-benzofuran-2-carboxylate
CID 99607288
2-butoxyethyl 4-(diethylaminomethyl)benzoate
CID 100611648
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
ethyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 168662115
[(R)-cyano(cyclopropyl)methyl] 4-(diethylaminomethyl)benzoate
CID 100612346

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate?
The IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate (CID 119038618) is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate.
What is the SMILES notation for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate?
The canonical SMILES for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate is CCN(CC)Cc1ccc(C(=O)OCC2CC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate?
The InChIKey is KLYDMOJUAXQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-21(4-2)12-15-5-7-17(8-6-15)20(24)25-14-16-11-19(23)22(13-16)18-9-10-18/h5-8,16,18H,3-4,9-14H2,1-2H3.
What are the key properties of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate?
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate has a molecular weight of 344.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate is sourced from PubChem (CID 119038618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).