N-(2,4-dimethylphenyl)-2-pentoxybenzamide

C20H25NO2 — CID 4946491

IUPACN-(2,4-dimethylphenyl)-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-17(19)20(22)21-18-12-11-15(2)14-16(18)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22)
InChIKeyYTLRLDXQAOCQBP-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.12
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-pentoxybenzamide

N-(2,4-dimethylphenyl)-2-pentoxybenzamide (PubChem CID 4946491) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-pentoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-pentoxybenzamide
PubChem CID4946491
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2,4-dimethylphenyl)-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-17(19)20(22)21-18-12-11-15(2)14-16(18)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22)
InChIKeyYTLRLDXQAOCQBP-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-pentoxybenzamide
CID 54784782
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
2-pentoxybenzohydrazide
CID 54793215
N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54784480

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-pentoxybenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-pentoxybenzamide (CID 4946491) is N-(2,4-dimethylphenyl)-2-pentoxybenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-pentoxybenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-pentoxybenzamide is CCCCCOc1ccccc1C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-pentoxybenzamide?
The InChIKey is YTLRLDXQAOCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-17(19)20(22)21-18-12-11-15(2)14-16(18)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-pentoxybenzamide?
N-(2,4-dimethylphenyl)-2-pentoxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-pentoxybenzamide is sourced from PubChem (CID 4946491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).