2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide

C19H27N3O3 — CID 132777303

IUPAC2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-14-19(13-17(20)23)9-4-12-22(19)18(24)15-5-7-16(8-6-15)21-10-2-3-11-21/h5-8H,2-4,9-14H2,1H3,(H2,20,23)
InChIKeyDLJOQQWAVAPPON-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide

2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide (PubChem CID 132777303) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide
PubChem CID132777303
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1C(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-14-19(13-17(20)23)9-4-12-22(19)18(24)15-5-7-16(8-6-15)21-10-2-3-11-21/h5-8H,2-4,9-14H2,1H3,(H2,20,23)
InChIKeyDLJOQQWAVAPPON-UHFFFAOYSA-N
XLogP1.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide
CID 132776077
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111538030
2-[2-(methoxymethyl)-1-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-2-yl]acetamide
CID 132764656
2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
CID 132776872
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
ethyl 2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 58229031
[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 86771534
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
2-ethyl-1-[4-(4-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 110347131
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
CID 159309501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide (CID 132777303) is 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide is COCC1(CC(N)=O)CCCN1C(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide?
The InChIKey is DLJOQQWAVAPPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-14-19(13-17(20)23)9-4-12-22(19)18(24)15-5-7-16(8-6-15)21-10-2-3-11-21/h5-8H,2-4,9-14H2,1H3,(H2,20,23).
What are the key properties of 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide?
2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 132777303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).