3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide

C18H24N2O6 — CID 55714302

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(C(C)NC(=O)CCN2C(=O)CCC2=O)cc(OC)c1OC
InChIInChI=1S/C18H24N2O6/c1-11(12-9-13(24-2)18(26-4)14(10-12)25-3)19-15(21)7-8-20-16(22)5-6-17(20)23/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyJWQLIXCPAUQUCP-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.43
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide (PubChem CID 55714302) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
PubChem CID55714302
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(C(C)NC(=O)CCN2C(=O)CCC2=O)cc(OC)c1OC
InChIInChI=1S/C18H24N2O6/c1-11(12-9-13(24-2)18(26-4)14(10-12)25-3)19-15(21)7-8-20-16(22)5-6-17(20)23/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyJWQLIXCPAUQUCP-UHFFFAOYSA-N
XLogP1.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-acetylcolchinol O-methyl ether
CID 97866
N-(3,4,5-trimethoxybenzyl)cyclopentanecarboxamide
CID 777910
1-Cyclohexyl-3-((3,4-dimethoxyphenethyl)amino)pyrrolidine-2,5-dione
CID 2972070
N-Acetylcolchinol, methyl ether
CID 242437
(4R)-N-octadecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 11319267
(4R)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 23627594
(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 23627595
(S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-4-oxo-butyramide
CID 24784426
(4R)-N-dodecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 44433131
(4R)-N-hexadecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 44433132
3,4,5-trimethoxy-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide
CID 2225103
N-[3-(2-Methylpiperidin-1-YL)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
CID 3236923

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide (CID 55714302) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide is COc1cc(C(C)NC(=O)CCN2C(=O)CCC2=O)cc(OC)c1OC.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is JWQLIXCPAUQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11(12-9-13(24-2)18(26-4)14(10-12)25-3)19-15(21)7-8-20-16(22)5-6-17(20)23/h9-11H,5-8H2,1-4H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 364.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 55714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).