N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C25H34N2O5 — CID 45171587

IUPACN-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCOCCCN1C(=O)CC(CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O
InChIInChI=1S/C25H34N2O5/c1-26(23(17-9-10-17)18-11-12-18)21(28)15-25(19-7-4-5-8-20(19)32-3)16-22(29)27(24(25)30)13-6-14-31-2/h4-5,7-8,17-18,23H,6,9-16H2,1-3H3
InChIKeyOGFVQSCZUOUMBT-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.77
Rot. Bonds11

About N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 45171587) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID45171587
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCOCCCN1C(=O)CC(CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O
InChIInChI=1S/C25H34N2O5/c1-26(23(17-9-10-17)18-11-12-18)21(28)15-25(19-7-4-5-8-20(19)32-3)16-22(29)27(24(25)30)13-6-14-31-2/h4-5,7-8,17-18,23H,6,9-16H2,1-3H3
InChIKeyOGFVQSCZUOUMBT-UHFFFAOYSA-N
XLogP2.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-2-(2-methoxyphenyl)ethan-1-one
CID 91910571
1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42681012
1-acetyl-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828347
3-[2-[2-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45165732
N-Cyclopropyl-2-(2-methoxyphenyl)-N-[(oxolan-3-YL)methyl]acetamide
CID 71687061
1-{4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone
CID 91653989
2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912612
1-[4-(Methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-3-(2-methoxyphenyl)-1-propanone
CID 91922060
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(3-methoxyphenyl)-1-ethanone
CID 91922173
2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
CID 25306354
(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42189708
N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42324669

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 45171587) is N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is COCCCN1C(=O)CC(CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is OGFVQSCZUOUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-26(23(17-9-10-17)18-11-12-18)21(28)15-25(19-7-4-5-8-20(19)32-3)16-22(29)27(24(25)30)13-6-14-31-2/h4-5,7-8,17-18,23H,6,9-16H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 442.56 g/mol, XLogP of 2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 45171587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).