4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide

C20H31N3O5 — CID 42681845

IUPAC4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCCCOC)C(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H31N3O5/c1-5-21-20(25)23-12-16(15-8-7-14(27-3)11-18(15)28-4)17(13-23)19(24)22-9-6-10-26-2/h7-8,11,16-17H,5-6,9-10,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFLWVHEAVCUCGSF-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.60
Rot. Bonds9

About 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide

4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 42681845) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide
PubChem CID42681845
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCCCOC)C(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H31N3O5/c1-5-21-20(25)23-12-16(15-8-7-14(27-3)11-18(15)28-4)17(13-23)19(24)22-9-6-10-26-2/h7-8,11,16-17H,5-6,9-10,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFLWVHEAVCUCGSF-UHFFFAOYSA-N
XLogP1.60
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-N-tert-butyl-4-(2,4-dimethoxyphenyl)-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide
CID 93154507
(3S,4R)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93154282
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42830404
4-(2,5-dimethoxyphenyl)-1-N-ethyl-3-N-propylpyrrolidine-1,3-dicarboxamide
CID 42680911
(3R,4R)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154069
(3S,4R)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93150633
(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93150626
4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680777
N-butyl-1-(cyclopentanecarbonyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681986
(3R,4S)-1-(benzenesulfonyl)-4-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93154574
(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150296
(3R,4S)-4-(2,4-dimethoxyphenyl)-1-(2-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154103

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide (CID 42681845) is 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NCCCOC)C(c2ccc(OC)cc2OC)C1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is FLWVHEAVCUCGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-5-21-20(25)23-12-16(15-8-7-14(27-3)11-18(15)28-4)17(13-23)19(24)22-9-6-10-26-2/h7-8,11,16-17H,5-6,9-10,12-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide?
4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 393.48 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 42681845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).