5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

C22H33N3O2 — CID 112826837

IUPAC5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCC(c2ccccc2)N2CCCC2)CC1=O
InChIInChI=1S/C22H33N3O2/c1-3-19(4-2)25-16-18(14-21(25)26)22(27)23-15-20(24-12-8-9-13-24)17-10-6-5-7-11-17/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H,23,27)
InChIKeyCDMLECQKIAQIRW-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.98
Rot. Bonds8

About 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 112826837) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID112826837
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCC(c2ccccc2)N2CCCC2)CC1=O
InChIInChI=1S/C22H33N3O2/c1-3-19(4-2)25-16-18(14-21(25)26)22(27)23-15-20(24-12-8-9-13-24)17-10-6-5-7-11-17/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H,23,27)
InChIKeyCDMLECQKIAQIRW-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826975
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826660
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 112826837) is 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)NCC(c2ccccc2)N2CCCC2)CC1=O.
What is the InChIKey of 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CDMLECQKIAQIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-19(4-2)25-16-18(14-21(25)26)22(27)23-15-20(24-12-8-9-13-24)17-10-6-5-7-11-17/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H,23,27).
What are the key properties of 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112826837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).