3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide

C18H21N3O3 — CID 54811072

IUPAC3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-9-7-14(8-10-16)20-12-17(22)21-15-6-4-5-13(11-15)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQMVZIRBRFMIMJB-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds7

About 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide

3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54811072) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54811072
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-9-7-14(8-10-16)20-12-17(22)21-15-6-4-5-13(11-15)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQMVZIRBRFMIMJB-UHFFFAOYSA-N
XLogP2.50
TPSA79.46 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 ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide (CID 54811072) is 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide is CCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is QMVZIRBRFMIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-16-9-7-14(8-10-16)20-12-17(22)21-15-6-4-5-13(11-15)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide?
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54811072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).