N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C22H29N3O2 — CID 34942442

IUPACN-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-2-27-21-11-7-6-10-20(21)23-22(26)18-25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,23,26)
InChIKeyMLJXWCUPSCRFBI-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.88
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 34942442) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID34942442
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-2-27-21-11-7-6-10-20(21)23-22(26)18-25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,23,26)
InChIKeyMLJXWCUPSCRFBI-UHFFFAOYSA-N
XLogP2.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 50964338
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 34942442) is N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is MLJXWCUPSCRFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-27-21-11-7-6-10-20(21)23-22(26)18-25-16-14-24(15-17-25)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).