1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide

C21H31N3O2 — CID 119536152

IUPAC1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-3-4-16-5-7-19(8-6-16)24-15-18(13-20(24)25)21(26)23-12-10-17-9-11-22-14-17/h5-8,17-18,22H,2-4,9-15H2,1H3,(H,23,26)
InChIKeyBRDQNDPVQLSOHE-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.50
Rot. Bonds8

About 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide

1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 119536152) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
PubChem CID119536152
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-3-4-16-5-7-19(8-6-16)24-15-18(13-20(24)25)21(26)23-12-10-17-9-11-22-14-17/h5-8,17-18,22H,2-4,9-15H2,1H3,(H,23,26)
InChIKeyBRDQNDPVQLSOHE-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 46581289
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 120948417
1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119559499
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119533531
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide (CID 119536152) is 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide is CCCCc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is BRDQNDPVQLSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-3-4-16-5-7-19(8-6-16)24-15-18(13-20(24)25)21(26)23-12-10-17-9-11-22-14-17/h5-8,17-18,22H,2-4,9-15H2,1H3,(H,23,26).
What are the key properties of 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide?
1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119536152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).