2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C22H30ClN3O2 — CID 119448091

IUPAC2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCCc1ccccc1OC(C(=O)NCCN1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-2-18-8-6-7-11-20(18)27-21(19-9-4-3-5-10-19)22(26)24-14-17-25-15-12-23-13-16-25;/h3-11,21,23H,2,12-17H2,1H3,(H,24,26);1H
InChIKeyKZEIWUWSLQVGNP-UHFFFAOYSA-N
MW403.95 g/mol
LogP2.81
Rot. Bonds8

About 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119448091) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119448091
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCCc1ccccc1OC(C(=O)NCCN1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-2-18-8-6-7-11-20(18)27-21(19-9-4-3-5-10-19)22(26)24-14-17-25-15-12-23-13-16-25;/h3-11,21,23H,2,12-17H2,1H3,(H,24,26);1H
InChIKeyKZEIWUWSLQVGNP-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2-piperazin-1-ylethyl)pentanamide
CID 119445557
1-[3-(2-ethylphenoxy)butyl]piperazine
CID 112509294
2-[[2-(2-ethylphenoxy)-2-phenylacetyl]amino]propanoic acid
CID 119348591
4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445159
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119448091) is 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is CCc1ccccc1OC(C(=O)NCCN1CCNCC1)c1ccccc1.Cl.
What is the InChIKey of 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is KZEIWUWSLQVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-2-18-8-6-7-11-20(18)27-21(19-9-4-3-5-10-19)22(26)24-14-17-25-15-12-23-13-16-25;/h3-11,21,23H,2,12-17H2,1H3,(H,24,26);1H.
What are the key properties of 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).