N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 17196871

IUPACN-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-9-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-11-15(2)10-16(3)12-19/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFKSBPWJZIDYYJJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds8

About N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide

N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17196871) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID17196871
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-9-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-11-15(2)10-16(3)12-19/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFKSBPWJZIDYYJJ-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide (CID 17196871) is N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is FKSBPWJZIDYYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-9-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-11-15(2)10-16(3)12-19/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17196871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).