1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C20H30N2O4 — CID 46363668

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C20H30N2O4/c1-4-26-17-8-6-16(7-9-17)11-14-22-18(23)10-12-20(22,2)19(24)21-13-5-15-25-3/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyLEXLMYHSDGOPFJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.16
Rot. Bonds10

About 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363668) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363668
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C20H30N2O4/c1-4-26-17-8-6-16(7-9-17)11-14-22-18(23)10-12-20(22,2)19(24)21-13-5-15-25-3/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyLEXLMYHSDGOPFJ-UHFFFAOYSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5281577
CID 5281577
CID 45270592
CID 45270592
CID 5319311
CID 5319311
CID 444478
CID 444478
CID 11654810
CID 11654810
CID 24755475
CID 24755475
CID 56665606
CID 56665606
CID 56675043
CID 56675043
CID 71458561
CID 71458561
CID 2096224
CID 2096224
CID 4882415
CID 4882415
CID 2854580
CID 2854580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46363668) is 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCCCOC)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LEXLMYHSDGOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-26-17-8-6-16(7-9-17)11-14-22-18(23)10-12-20(22,2)19(24)21-13-5-15-25-3/h6-9H,4-5,10-15H2,1-3H3,(H,21,24).
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).