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

C24H30N4O3 — CID 46414564

IUPACN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H30N4O3/c1-27(2)20-11-7-18(8-12-20)5-3-15-25-22(29)17-26-24(31)19-9-13-21(14-10-19)28-16-4-6-23(28)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyKKUNJXVZQLIJKZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.36
Rot. Bonds9

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

N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46414564) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46414564
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H30N4O3/c1-27(2)20-11-7-18(8-12-20)5-3-15-25-22(29)17-26-24(31)19-9-13-21(14-10-19)28-16-4-6-23(28)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyKKUNJXVZQLIJKZ-UHFFFAOYSA-N
XLogP2.36
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55660476
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[2-[3-(4-fluorophenyl)sulfanylpropylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27802273
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654014
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110312238
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 46414564) is N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CN(C)c1ccc(CCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KKUNJXVZQLIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27(2)20-11-7-18(8-12-20)5-3-15-25-22(29)17-26-24(31)19-9-13-21(14-10-19)28-16-4-6-23(28)30/h7-14H,3-6,15-17H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46414564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).