2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

C24H31N3O3 — CID 1091619

IUPAC2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17(2)24(29)27-13-11-26(12-14-27)22-8-6-5-7-21(22)25-23(28)16-30-20-10-9-18(3)19(4)15-20/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyYGDUVJUCGIOCBZ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.63
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 1091619) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID1091619
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17(2)24(29)27-13-11-26(12-14-27)22-8-6-5-7-21(22)25-23(28)16-30-20-10-9-18(3)19(4)15-20/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyYGDUVJUCGIOCBZ-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 39381273
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 17066165
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17117895
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17066174
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
CID 40628480
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55640232
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (CID 1091619) is 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is YGDUVJUCGIOCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)24(29)27-13-11-26(12-14-27)22-8-6-5-7-21(22)25-23(28)16-30-20-10-9-18(3)19(4)15-20/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,28).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 1091619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).