2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

C23H29N3O3 — CID 1017654

IUPAC2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17(2)23(28)26-14-12-25(13-15-26)21-7-5-4-6-20(21)24-22(27)16-29-19-10-8-18(3)9-11-19/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyGKIOYQXOJYIHPD-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.32
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 1017654) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID1017654
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17(2)23(28)26-14-12-25(13-15-26)21-7-5-4-6-20(21)24-22(27)16-29-19-10-8-18(3)9-11-19/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyGKIOYQXOJYIHPD-UHFFFAOYSA-N
XLogP3.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1091619
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 39381273
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17066174
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
CID 40628480
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 17066165
2-(4-methylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]acetamide
CID 4503314
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2944268
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 2959939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (CID 1017654) is 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is GKIOYQXOJYIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(2)23(28)26-14-12-25(13-15-26)21-7-5-4-6-20(21)24-22(27)16-29-19-10-8-18(3)9-11-19/h4-11,17H,12-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 1017654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).