N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C22H33N3O3 — CID 108791044

IUPACN-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-2-3-14-28-15-6-11-23-22(27)18-16-21(26)25(17-18)20-9-7-19(8-10-20)24-12-4-5-13-24/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)
InChIKeyVLHWLERRRRYKDG-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.96
Rot. Bonds10

About N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 108791044) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID108791044
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-2-3-14-28-15-6-11-23-22(27)18-16-21(26)25(17-18)20-9-7-19(8-10-20)24-12-4-5-13-24/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)
InChIKeyVLHWLERRRRYKDG-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
N-(3-hydroxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803695
(3S)-1-(4-bromophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 25473658
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-(2-methoxyethyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189925
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
CID 87016245
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
N-[2-(4-hydroxyphenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791056

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 108791044) is N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is CCCCOCCCNC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VLHWLERRRRYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-2-3-14-28-15-6-11-23-22(27)18-16-21(26)25(17-18)20-9-7-19(8-10-20)24-12-4-5-13-24/h7-10,18H,2-6,11-17H2,1H3,(H,23,27).
What are the key properties of N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108791044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).