(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide

C23H30N4O3 — CID 8774504

IUPAC(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C23H30N4O3/c1-3-30-20-12-8-7-11-19(20)25-23(29)22(18-9-5-4-6-10-18)27-15-13-26(14-16-27)17-21(28)24-2/h4-12,22H,3,13-17H2,1-2H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyLQSUMFRHZGLOGM-JOCHJYFZSA-N
MW410.52 g/mol
LogP2.13
Rot. Bonds8

About (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide

(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 8774504) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID8774504
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C23H30N4O3/c1-3-30-20-12-8-7-11-19(20)25-23(29)22(18-9-5-4-6-10-18)27-15-13-26(14-16-27)17-21(28)24-2/h4-12,22H,3,13-17H2,1-2H3,(H,24,28)(H,25,29)/t22-/m1/s1
InChIKeyLQSUMFRHZGLOGM-JOCHJYFZSA-N
XLogP2.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
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
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (CID 8774504) is (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC)CC1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is LQSUMFRHZGLOGM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-30-20-12-8-7-11-19(20)25-23(29)22(18-9-5-4-6-10-18)27-15-13-26(14-16-27)17-21(28)24-2/h4-12,22H,3,13-17H2,1-2H3,(H,24,28)(H,25,29)/t22-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 410.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 8774504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).