3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide

C18H21N3O3 — CID 54795721

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-24-10-9-20-18(23)14-3-2-4-16(12-14)21-17(22)11-13-5-7-15(19)8-6-13/h2-8,12H,9-11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyKCJMCBOZIJJJTH-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.83
Rot. Bonds7

About 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide

3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54795721) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54795721
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-24-10-9-20-18(23)14-3-2-4-16(12-14)21-17(22)11-13-5-7-15(19)8-6-13/h2-8,12H,9-11,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyKCJMCBOZIJJJTH-UHFFFAOYSA-N
XLogP1.83
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
N-(2-methoxyethyl)-3-(2-methylpropanoylcarbamothioylamino)benzamide
CID 17219277
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54795721) is 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is KCJMCBOZIJJJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-10-9-20-18(23)14-3-2-4-16(12-14)21-17(22)11-13-5-7-15(19)8-6-13/h2-8,12H,9-11,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54795721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).