2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide

C24H30N2O4 — CID 108551105

IUPAC2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-17-4-7-21(8-5-17)29-16-24(28)26-12-10-20(11-13-26)25-23(27)15-30-22-9-6-18(2)14-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H,25,27)
InChIKeyWNSZSBWBLMZRIX-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.18
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide

2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108551105) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108551105
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-17-4-7-21(8-5-17)29-16-24(28)26-12-10-20(11-13-26)25-23(27)15-30-22-9-6-18(2)14-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H,25,27)
InChIKeyWNSZSBWBLMZRIX-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108553151
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108551105) is 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is WNSZSBWBLMZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-4-7-21(8-5-17)29-16-24(28)26-12-10-20(11-13-26)25-23(27)15-30-22-9-6-18(2)14-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108551105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).