2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C28H34N4O2 — CID 17440812

IUPAC2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-4-31-16-18-32(19-17-31)24-13-11-23(12-14-24)29-27(22-8-6-5-7-9-22)28(33)30-25-20-21(2)10-15-26(25)34-3/h5-15,20,27,29H,4,16-19H2,1-3H3,(H,30,33)
InChIKeyQVBGTIHEFYRXCA-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.94
Rot. Bonds8

About 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 17440812) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID17440812
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-4-31-16-18-32(19-17-31)24-13-11-23(12-14-24)29-27(22-8-6-5-7-9-22)28(33)30-25-20-21(2)10-15-26(25)34-3/h5-15,20,27,29H,4,16-19H2,1-3H3,(H,30,33)
InChIKeyQVBGTIHEFYRXCA-UHFFFAOYSA-N
XLogP4.94
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.94
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

(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 31420058
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 41169147
(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
CID 9267285
(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
CID 9345509
(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
4-[[[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]amino]methyl]benzoic acid
CID 40843286
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylanilino)-2-phenylacetamide
CID 7928697
2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide
CID 55382048
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 17440812) is 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is CCN1CCN(c2ccc(NC(C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is QVBGTIHEFYRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-4-31-16-18-32(19-17-31)24-13-11-23(12-14-24)29-27(22-8-6-5-7-9-22)28(33)30-25-20-21(2)10-15-26(25)34-3/h5-15,20,27,29H,4,16-19H2,1-3H3,(H,30,33).
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 458.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 17440812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).