N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide

C25H34N2O2 — CID 173312766

IUPACN'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H34N2O2/c1-19-12-14-22(15-13-19)26-24(28)10-8-6-4-5-7-9-11-25(29)27-23-17-20(2)16-21(3)18-23/h12-18H,4-11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyVIYNSFPWMFFGDC-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.31
Rot. Bonds11

About N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide

N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide (PubChem CID 173312766) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
PubChem CID173312766
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H34N2O2/c1-19-12-14-22(15-13-19)26-24(28)10-8-6-4-5-7-9-11-25(29)27-23-17-20(2)16-21(3)18-23/h12-18H,4-11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyVIYNSFPWMFFGDC-UHFFFAOYSA-N
XLogP6.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-methylphenyl)pentanamide
CID 3662375
7-methyl-N-(4-methylphenyl)-8-oxononanamide
CID 86156730
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide (CID 173312766) is N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide is Cc1ccc(NC(=O)CCCCCCCCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide?
The InChIKey is VIYNSFPWMFFGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-19-12-14-22(15-13-19)26-24(28)10-8-6-4-5-7-9-11-25(29)27-23-17-20(2)16-21(3)18-23/h12-18H,4-11H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide?
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide has a molecular weight of 394.56 g/mol, XLogP of 6.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide is sourced from PubChem (CID 173312766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).