N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide

C25H26N2O5 — CID 2604010

IUPACN-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C25H26N2O5/c1-17-8-7-11-19(14-17)32-13-12-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)18-9-5-4-6-10-18/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOGTFHTZYSJUUKP-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.67
Rot. Bonds9

About N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide

N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 2604010) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID2604010
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C25H26N2O5/c1-17-8-7-11-19(14-17)32-13-12-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)18-9-5-4-6-10-18/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOGTFHTZYSJUUKP-UHFFFAOYSA-N
XLogP4.67
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 35504895
methyl 4,5-dimethoxy-2-[4-(3-methylphenoxy)butanoylamino]benzoate
CID 8801684
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide (CID 2604010) is N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is OGTFHTZYSJUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-17-8-7-11-19(14-17)32-13-12-24(28)26-20-15-23(31-3)21(16-22(20)30-2)27-25(29)18-9-5-4-6-10-18/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 434.49 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 2604010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).