3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide

C22H28N2O4 — CID 55801610

IUPAC3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C22H28N2O4/c1-4-27-13-7-12-23-22(26)18-10-6-11-19(14-18)24-20(25)15-28-21-16(2)8-5-9-17(21)3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVDGHBAJTFBYZMZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds10

About 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide

3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 55801610) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
PubChem CID55801610
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C22H28N2O4/c1-4-27-13-7-12-23-22(26)18-10-6-11-19(14-18)24-20(25)15-28-21-16(2)8-5-9-17(21)3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVDGHBAJTFBYZMZ-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
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-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide (CID 55801610) is 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1.
What is the InChIKey of 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is VDGHBAJTFBYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-27-13-7-12-23-22(26)18-10-6-11-19(14-18)24-20(25)15-28-21-16(2)8-5-9-17(21)3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 55801610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).