(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide

C23H31N3O2 — CID 30736150

IUPAC(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOCCN1CCN([C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-18-15-19(2)17-21(16-18)24-23(27)22(20-7-5-4-6-8-20)26-11-9-25(10-12-26)13-14-28-3/h4-8,15-17,22H,9-14H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyXFMFMAMWQKFMGI-JOCHJYFZSA-N
MW381.52 g/mol
LogP3.25
Rot. Bonds7

About (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide

(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 30736150) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID30736150
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOCCN1CCN([C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-18-15-19(2)17-21(16-18)24-23(27)22(20-7-5-4-6-8-20)26-11-9-25(10-12-26)13-14-28-3/h4-8,15-17,22H,9-14H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyXFMFMAMWQKFMGI-JOCHJYFZSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 51927903
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
CID 55828595
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9267870
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide (CID 30736150) is (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide is COCCN1CCN([C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is XFMFMAMWQKFMGI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-15-19(2)17-21(16-18)24-23(27)22(20-7-5-4-6-8-20)26-11-9-25(10-12-26)13-14-28-3/h4-8,15-17,22H,9-14H2,1-3H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 381.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 30736150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).