N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide

C30H36N2O3 — CID 54783734

IUPACN-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C30H36N2O3/c1-22-15-16-23(2)27(19-22)35-18-10-17-30(3,4)29(34)31-26-14-9-13-25(20-26)28(33)32(5)21-24-11-7-6-8-12-24/h6-9,11-16,19-20H,10,17-18,21H2,1-5H3,(H,31,34)
InChIKeyXGFRFIVYPFCYSB-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.40
Rot. Bonds10

About N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide

N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide (PubChem CID 54783734) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide
PubChem CID54783734
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C30H36N2O3/c1-22-15-16-23(2)27(19-22)35-18-10-17-30(3,4)29(34)31-26-14-9-13-25(20-26)28(33)32(5)21-24-11-7-6-8-12-24/h6-9,11-16,19-20H,10,17-18,21H2,1-5H3,(H,31,34)
InChIKeyXGFRFIVYPFCYSB-UHFFFAOYSA-N
XLogP6.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783633
5-(2,5-dimethylphenoxy)-N-(3-fluorophenyl)-2,2-dimethylpentanamide
CID 54788669
N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]carbamothioylamino]benzamide
CID 54784193
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 54783726
N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]benzamide
CID 54783799
N-butan-2-yl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]benzamide
CID 54783884
N-[3-(azepane-1-carbonyl)phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783710
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
CID 54783509
3-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]propanoic acid
CID 70409817

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide (CID 54783734) is N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide?
The InChIKey is XGFRFIVYPFCYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-22-15-16-23(2)27(19-22)35-18-10-17-30(3,4)29(34)31-26-14-9-13-25(20-26)28(33)32(5)21-24-11-7-6-8-12-24/h6-9,11-16,19-20H,10,17-18,21H2,1-5H3,(H,31,34).
What are the key properties of N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide?
N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide has a molecular weight of 472.63 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54783734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).