4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide

C27H34N4O3 — CID 60622222

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
SMILESCCCCC(NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C27H34N4O3/c1-2-3-10-24(27(34)28-21-8-6-9-23(19-21)30-16-4-5-17-30)29-26(33)20-12-14-22(15-13-20)31-18-7-11-25(31)32/h6,8-9,12-15,19,24H,2-5,7,10-11,16-18H2,1H3,(H,28,34)(H,29,33)
InChIKeyNMOJUTBIJSKGBQ-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.34
Rot. Bonds9

About 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide (PubChem CID 60622222) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
PubChem CID60622222
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
SMILESCCCCC(NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C27H34N4O3/c1-2-3-10-24(27(34)28-21-8-6-9-23(19-21)30-16-4-5-17-30)29-26(33)20-12-14-22(15-13-20)31-18-7-11-25(31)32/h6,8-9,12-15,19,24H,2-5,7,10-11,16-18H2,1H3,(H,28,34)(H,29,33)
InChIKeyNMOJUTBIJSKGBQ-UHFFFAOYSA-N
XLogP4.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 18271840
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide (CID 60622222) is 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide is CCCCC(NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
The InChIKey is NMOJUTBIJSKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-2-3-10-24(27(34)28-21-8-6-9-23(19-21)30-16-4-5-17-30)29-26(33)20-12-14-22(15-13-20)31-18-7-11-25(31)32/h6,8-9,12-15,19,24H,2-5,7,10-11,16-18H2,1H3,(H,28,34)(H,29,33).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide is sourced from PubChem (CID 60622222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).