N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

C23H31N5O2 — CID 131897568

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3cccc(NC(=O)CN(C)C)c3)CC2)c1
InChIInChI=1S/C23H31N5O2/c1-18-6-4-9-21(14-18)28-12-10-27(11-13-28)17-23(30)25-20-8-5-7-19(15-20)24-22(29)16-26(2)3/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyWZJXSTZSSKBDSA-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.26
Rot. Bonds7

About N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 131897568) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID131897568
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3cccc(NC(=O)CN(C)C)c3)CC2)c1
InChIInChI=1S/C23H31N5O2/c1-18-6-4-9-21(14-18)28-12-10-27(11-13-28)17-23(30)25-20-8-5-7-19(15-20)24-22(29)16-26(2)3/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyWZJXSTZSSKBDSA-UHFFFAOYSA-N
XLogP2.26
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 131897568) is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)Nc3cccc(NC(=O)CN(C)C)c3)CC2)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is WZJXSTZSSKBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-18-6-4-9-21(14-18)28-12-10-27(11-13-28)17-23(30)25-20-8-5-7-19(15-20)24-22(29)16-26(2)3/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 131897568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).