N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide

C27H38N2O2 — CID 173311186

IUPACN'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-21-13-17-23(18-14-21)28-25(30)11-9-7-5-6-8-10-12-26(31)29-24-19-15-22(16-20-24)27(2,3)4/h13-20H,5-12H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyZEWXGTPTVLFZDJ-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.99
Rot. Bonds11

About N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide

N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide (PubChem CID 173311186) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
PubChem CID173311186
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-21-13-17-23(18-14-21)28-25(30)11-9-7-5-6-8-10-12-26(31)29-24-19-15-22(16-20-24)27(2,3)4/h13-20H,5-12H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyZEWXGTPTVLFZDJ-UHFFFAOYSA-N
XLogP6.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.99
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)dodecanamide
CID 118504435
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N-(4-methylphenyl)pentanamide
CID 3662375
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
7-methyl-N-(4-methylphenyl)-8-oxononanamide
CID 86156730
5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid
CID 17235034
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide (CID 173311186) is N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide is Cc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide?
The InChIKey is ZEWXGTPTVLFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-21-13-17-23(18-14-21)28-25(30)11-9-7-5-6-8-10-12-26(31)29-24-19-15-22(16-20-24)27(2,3)4/h13-20H,5-12H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide?
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide has a molecular weight of 422.61 g/mol, XLogP of 6.99, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide is sourced from PubChem (CID 173311186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).