N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H33N5O3 — CID 55660476

IUPACN-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN1CCN(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C22H33N5O3/c1-2-25-13-15-26(16-14-25)11-4-10-23-20(28)17-24-22(30)18-6-8-19(9-7-18)27-12-3-5-21(27)29/h6-9H,2-5,10-17H2,1H3,(H,23,28)(H,24,30)
InChIKeyAZCOFRQXPNAGSV-UHFFFAOYSA-N
MW415.54 g/mol
LogP0.69
Rot. Bonds9

About N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55660476) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55660476
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN1CCN(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C22H33N5O3/c1-2-25-13-15-26(16-14-25)11-4-10-23-20(28)17-24-22(30)18-6-8-19(9-7-18)27-12-3-5-21(27)29/h6-9H,2-5,10-17H2,1H3,(H,23,28)(H,24,30)
InChIKeyAZCOFRQXPNAGSV-UHFFFAOYSA-N
XLogP0.69
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
N-[2-[3-(4-fluorophenyl)sulfanylpropylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27802273
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46414564
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111412887
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55660476) is N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCN1CCN(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AZCOFRQXPNAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-2-25-13-15-26(16-14-25)11-4-10-23-20(28)17-24-22(30)18-6-8-19(9-7-18)27-12-3-5-21(27)29/h6-9H,2-5,10-17H2,1H3,(H,23,28)(H,24,30).
What are the key properties of N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55660476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).