2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide

C23H30N4O2 — CID 9436502

IUPAC2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C23H30N4O2/c1-3-19-9-5-7-11-21(19)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-20-10-6-4-8-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHDNQRTKYKSSXQB-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide

2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 9436502) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID9436502
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C23H30N4O2/c1-3-19-9-5-7-11-21(19)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-20-10-6-4-8-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHDNQRTKYKSSXQB-UHFFFAOYSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-ethylphenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetamide
CID 29106292
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773310
N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55432044
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 9436502) is 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is HDNQRTKYKSSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-19-9-5-7-11-21(19)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-20-10-6-4-8-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9436502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).