2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C21H25N3O2 — CID 110664380

IUPAC2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-4-6-18(16)15-20(25)22-19-9-7-17(8-10-19)21(26)24-13-11-23(2)12-14-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyGEAANSMIJNWCBH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 110664380) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID110664380
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-4-6-18(16)15-20(25)22-19-9-7-17(8-10-19)21(26)24-13-11-23(2)12-14-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyGEAANSMIJNWCBH-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108763681
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108741140
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110616962
N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 67623973
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 110664380) is 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is GEAANSMIJNWCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-5-3-4-6-18(16)15-20(25)22-19-9-7-17(8-10-19)21(26)24-13-11-23(2)12-14-24/h3-10H,11-15H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110664380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).