1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide

C20H26N2O2 — CID 166342502

IUPAC1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCCC34CCC4)CC2=O)cc1
InChIInChI=1S/C20H26N2O2/c1-14-5-7-16(8-6-14)22-13-15(12-18(22)23)19(24)21-17-4-2-9-20(17)10-3-11-20/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,24)
InChIKeyKBKJLIABLPYANT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide (PubChem CID 166342502) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
PubChem CID166342502
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCCC34CCC4)CC2=O)cc1
InChIInChI=1S/C20H26N2O2/c1-14-5-7-16(8-6-14)22-13-15(12-18(22)23)19(24)21-17-4-2-9-20(17)10-3-11-20/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,24)
InChIKeyKBKJLIABLPYANT-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3S)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811620
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56809033
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811618
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55534644
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97039990
(3R)-N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124813851
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide (CID 166342502) is 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CCCC34CCC4)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide?
The InChIKey is KBKJLIABLPYANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-5-7-16(8-6-14)22-13-15(12-18(22)23)19(24)21-17-4-2-9-20(17)10-3-11-20/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,24).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166342502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).