N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide

C23H23NO3 — CID 4954927

IUPACN-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C23H23NO3/c1-17-11-12-18(2)22(15-17)24-23(25)19-7-6-10-21(16-19)27-14-13-26-20-8-4-3-5-9-20/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyMFFPWHULQGOANJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.01
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide

N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide (PubChem CID 4954927) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
PubChem CID4954927
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C23H23NO3/c1-17-11-12-18(2)22(15-17)24-23(25)19-7-6-10-21(16-19)27-14-13-26-20-8-4-3-5-9-20/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyMFFPWHULQGOANJ-UHFFFAOYSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)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

N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952984
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
CID 7709509
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
N-(2,5-dimethylphenyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 42063589
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide (CID 4954927) is N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide is Cc1ccc(C)c(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide?
The InChIKey is MFFPWHULQGOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17-11-12-18(2)22(15-17)24-23(25)19-7-6-10-21(16-19)27-14-13-26-20-8-4-3-5-9-20/h3-12,15-16H,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide?
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).