N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide

C26H35N3O2 — CID 78798955

IUPACN-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
SMILESCCC(C)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-5-19(2)24(22-12-7-6-8-13-22)26(31)29-16-14-28(15-17-29)18-23(30)27-25-20(3)10-9-11-21(25)4/h6-13,19,24H,5,14-18H2,1-4H3,(H,27,30)
InChIKeyUZYZTBMADLFYHB-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.22
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide (PubChem CID 78798955) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
PubChem CID78798955
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
SMILESCCC(C)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1
InChIInChI=1S/C26H35N3O2/c1-5-19(2)24(22-12-7-6-8-13-22)26(31)29-16-14-28(15-17-29)18-23(30)27-25-20(3)10-9-11-21(25)4/h6-13,19,24H,5,14-18H2,1-4H3,(H,27,30)
InChIKeyUZYZTBMADLFYHB-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide
CID 55987097
2-[4-[(2R)-2-benzylsulfanylpropanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51959190
N-(2,6-dimethylphenyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119833398
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide (CID 78798955) is N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide is CCC(C)C(C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide?
The InChIKey is UZYZTBMADLFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-5-19(2)24(22-12-7-6-8-13-22)26(31)29-16-14-28(15-17-29)18-23(30)27-25-20(3)10-9-11-21(25)4/h6-13,19,24H,5,14-18H2,1-4H3,(H,27,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78798955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).