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

C19H23N3O3 — CID 54811015

IUPAC3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-3-20-19(24)14-6-5-7-16(12-14)22-18(23)13-21-15-8-10-17(11-9-15)25-4-2/h5-12,21H,3-4,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyXLILMZRKAVBDQP-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.89
Rot. Bonds8

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

3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide (PubChem CID 54811015) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
PubChem CID54811015
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-3-20-19(24)14-6-5-7-16(12-14)22-18(23)13-21-15-8-10-17(11-9-15)25-4-2/h5-12,21H,3-4,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyXLILMZRKAVBDQP-UHFFFAOYSA-N
XLogP2.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.89
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-methylbenzamide
CID 54811072
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
CID 34067115
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide (CID 54811015) is 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC)cc2)c1.
What is the InChIKey of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The InChIKey is XLILMZRKAVBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-20-19(24)14-6-5-7-16(12-14)22-18(23)13-21-15-8-10-17(11-9-15)25-4-2/h5-12,21H,3-4,13H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.89, 8 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-ethylbenzamide is sourced from PubChem (CID 54811015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).