(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide

C27H32N4O2 — CID 31420058

IUPAC(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)cc2)CC1
InChIInChI=1S/C27H32N4O2/c1-3-30-16-18-31(19-17-30)24-14-12-22(13-15-24)28-26(21-8-5-4-6-9-21)27(32)29-23-10-7-11-25(20-23)33-2/h4-15,20,26,28H,3,16-19H2,1-2H3,(H,29,32)/t26-/m1/s1
InChIKeyGMTSARSITVSXRH-AREMUKBSSA-N
MW444.58 g/mol
LogP4.63
Rot. Bonds8

About (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide

(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 31420058) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID31420058
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)cc2)CC1
InChIInChI=1S/C27H32N4O2/c1-3-30-16-18-31(19-17-30)24-14-12-22(13-15-24)28-26(21-8-5-4-6-9-21)27(32)29-23-10-7-11-25(20-23)33-2/h4-15,20,26,28H,3,16-19H2,1-2H3,(H,29,32)/t26-/m1/s1
InChIKeyGMTSARSITVSXRH-AREMUKBSSA-N
XLogP4.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
CID 25362284
2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 17440812
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 87033167
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-phenylacetamide
CID 4796277
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide (CID 31420058) is (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide is CCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is GMTSARSITVSXRH-AREMUKBSSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-30-16-18-31(19-17-30)24-14-12-22(13-15-24)28-26(21-8-5-4-6-9-21)27(32)29-23-10-7-11-25(20-23)33-2/h4-15,20,26,28H,3,16-19H2,1-2H3,(H,29,32)/t26-/m1/s1.
What are the key properties of (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide?
(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 444.58 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 31420058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).