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

C27H31N3O — CID 55471163

IUPACN-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cccc(N2CCN(C(C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)c1
InChIInChI=1S/C27H31N3O/c1-20-8-7-11-24(18-20)29-14-16-30(17-15-29)26(23-9-5-4-6-10-23)27(31)28-25-19-21(2)12-13-22(25)3/h4-13,18-19,26H,14-17H2,1-3H3,(H,28,31)
InChIKeyQXNSQLVBRVIMML-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.11
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 55471163) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID55471163
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cccc(N2CCN(C(C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)c1
InChIInChI=1S/C27H31N3O/c1-20-8-7-11-24(18-20)29-14-16-30(17-15-29)26(23-9-5-4-6-10-23)27(31)28-25-19-21(2)12-13-22(25)3/h4-13,18-19,26H,14-17H2,1-3H3,(H,28,31)
InChIKeyQXNSQLVBRVIMML-UHFFFAOYSA-N
XLogP5.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 42912002
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9361176
(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 30102769
1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227219
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222
(2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 8726424
(2S)-N-(2,5-dimethylphenyl)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641796
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9360237
(2R)-N-(2,5-dimethylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641777
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 41169147
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 42912196

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide (CID 55471163) is N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide is Cc1cccc(N2CCN(C(C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is QXNSQLVBRVIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-20-8-7-11-24(18-20)29-14-16-30(17-15-29)26(23-9-5-4-6-10-23)27(31)28-25-19-21(2)12-13-22(25)3/h4-13,18-19,26H,14-17H2,1-3H3,(H,28,31).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide?
N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 413.57 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55471163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).