N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide

C20H25NO2 — CID 4981665

IUPACN-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)8-9-23-19-7-5-6-17(13-19)20(22)21-18-11-15(3)10-16(4)12-18/h5-7,10-14H,8-9H2,1-4H3,(H,21,22)
InChIKeyJHRQXUBCQUSTIU-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.98
Rot. Bonds6

About N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide

N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide (PubChem CID 4981665) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
PubChem CID4981665
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)8-9-23-19-7-5-6-17(13-19)20(22)21-18-11-15(3)10-16(4)12-18/h5-7,10-14H,8-9H2,1-4H3,(H,21,22)
InChIKeyJHRQXUBCQUSTIU-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide 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

3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981702
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
CID 54784402
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide (CID 4981665) is N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide?
The InChIKey is JHRQXUBCQUSTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)8-9-23-19-7-5-6-17(13-19)20(22)21-18-11-15(3)10-16(4)12-18/h5-7,10-14H,8-9H2,1-4H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide?
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).