N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide

C20H24N2O4 — CID 26160095

IUPACN-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-15-7-9-18(10-8-15)26-14-19(23)22-17-6-3-5-16(13-17)20(24)21-11-4-12-25-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYQWQDTKBIXHQHE-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.78
Rot. Bonds9

About N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide (PubChem CID 26160095) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
PubChem CID26160095
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-15-7-9-18(10-8-15)26-14-19(23)22-17-6-3-5-16(13-17)20(24)21-11-4-12-25-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYQWQDTKBIXHQHE-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.78
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-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
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-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54837826
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide (CID 26160095) is N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is YQWQDTKBIXHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-7-9-18(10-8-15)26-14-19(23)22-17-6-3-5-16(13-17)20(24)21-11-4-12-25-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26160095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).