(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide

C22H29N3O2 — CID 7928314

IUPAC(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(CC)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-14-16-25(17-15-24)21(18-10-6-5-7-11-18)22(26)23-19-12-8-9-13-20(19)27-4-2/h5-13,21H,3-4,14-17H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyHJEDWMIUVKJSLB-NRFANRHFSA-N
MW367.49 g/mol
LogP3.40
Rot. Bonds7

About (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide

(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 7928314) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
PubChem CID7928314
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(CC)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-14-16-25(17-15-24)21(18-10-6-5-7-11-18)22(26)23-19-12-8-9-13-20(19)27-4-2/h5-13,21H,3-4,14-17H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyHJEDWMIUVKJSLB-NRFANRHFSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048640
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 52513026
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 60511103
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16599413
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide (CID 7928314) is (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(CC)CC1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is HJEDWMIUVKJSLB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-24-14-16-25(17-15-24)21(18-10-6-5-7-11-18)22(26)23-19-12-8-9-13-20(19)27-4-2/h5-13,21H,3-4,14-17H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide?
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 367.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 7928314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).