N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide

C27H31N3O — CID 27050656

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2C)CC1
InChIInChI=1S/C27H31N3O/c1-3-29-15-17-30(18-16-29)26-14-13-25(19-21(26)2)28-27(31)20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-14,19H,3,15-18,20H2,1-2H3,(H,28,31)
InChIKeyARZVLGCYHQISJC-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.99
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide (PubChem CID 27050656) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
PubChem CID27050656
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2C)CC1
InChIInChI=1S/C27H31N3O/c1-3-29-15-17-30(18-16-29)26-14-13-25(19-21(26)2)28-27(31)20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-14,19H,3,15-18,20H2,1-2H3,(H,28,31)
InChIKeyARZVLGCYHQISJC-UHFFFAOYSA-N
XLogP4.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24525541
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 36592874
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24525445
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-phenylphenyl)acetamide
CID 40946959
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
CID 46649887
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]propanamide
CID 92815262

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide (CID 27050656) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide is CCN1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is ARZVLGCYHQISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-3-29-15-17-30(18-16-29)26-14-13-25(19-21(26)2)28-27(31)20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-14,19H,3,15-18,20H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 413.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 27050656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).