N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide

C22H28N4O2 — CID 113112200

IUPACN-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-4-18-8-5-7-16(2)21(18)25-11-13-26(14-12-25)22(28)24-20-10-6-9-19(15-20)23-17(3)27/h5-10,15H,4,11-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAYOSIXVENCGYGS-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.87
Rot. Bonds4

About N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide

N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (PubChem CID 113112200) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
PubChem CID113112200
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-4-18-8-5-7-16(2)21(18)25-11-13-26(14-12-25)22(28)24-20-10-6-9-19(15-20)23-17(3)27/h5-10,15H,4,11-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAYOSIXVENCGYGS-UHFFFAOYSA-N
XLogP3.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110716
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (CID 113112200) is N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is CCc1cccc(C)c1N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The InChIKey is AYOSIXVENCGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-18-8-5-7-16(2)21(18)25-11-13-26(14-12-25)22(28)24-20-10-6-9-19(15-20)23-17(3)27/h5-10,15H,4,11-14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).