1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide

C19H28N2O4 — CID 113185431

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(CCOc2ccc(OC)cc2)C1
InChIInChI=1S/C19H28N2O4/c1-3-4-5-10-20-19(23)15-13-18(22)21(14-15)11-12-25-17-8-6-16(24-2)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)
InChIKeyISNUJLYAKDRNDV-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.23
Rot. Bonds10

About 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide

1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 113185431) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID113185431
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(CCOc2ccc(OC)cc2)C1
InChIInChI=1S/C19H28N2O4/c1-3-4-5-10-20-19(23)15-13-18(22)21(14-15)11-12-25-17-8-6-16(24-2)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)
InChIKeyISNUJLYAKDRNDV-UHFFFAOYSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.23
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

N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
N-[(2-fluorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185414
N-(2-ethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185450
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
(3S)-N-(3-ethoxypropyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297128
N-(4-cyanophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185477
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 113185431) is 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(CCOc2ccc(OC)cc2)C1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is ISNUJLYAKDRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-4-5-10-20-19(23)15-13-18(22)21(14-15)11-12-25-17-8-6-16(24-2)7-9-17/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113185431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).