3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide

C21H25ClN2O4 — CID 26160030

IUPAC3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C21H25ClN2O4/c1-14-10-18(11-15(2)20(14)22)28-13-19(25)24-17-7-4-6-16(12-17)21(26)23-8-5-9-27-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyUNOUTXDIDHHICY-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.74
Rot. Bonds9

About 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 26160030) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID26160030
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C21H25ClN2O4/c1-14-10-18(11-15(2)20(14)22)28-13-19(25)24-17-7-4-6-16(12-17)21(26)23-8-5-9-27-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyUNOUTXDIDHHICY-UHFFFAOYSA-N
XLogP3.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 26160030) is 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is UNOUTXDIDHHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-14-10-18(11-15(2)20(14)22)28-13-19(25)24-17-7-4-6-16(12-17)21(26)23-8-5-9-27-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 404.89 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 26160030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).