3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C19H23N3O3 — CID 54840596

IUPAC3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H23N3O3/c1-4-25-17-10-6-9-16(12-17)21-18(23)13-20-15-8-5-7-14(11-15)19(24)22(2)3/h5-12,20H,4,13H2,1-3H3,(H,21,23)
InChIKeyPILOKWSPMTYBIS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.84
Rot. Bonds7

About 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840596) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840596
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H23N3O3/c1-4-25-17-10-6-9-16(12-17)21-18(23)13-20-15-8-5-7-14(11-15)19(24)22(2)3/h5-12,20H,4,13H2,1-3H3,(H,21,23)
InChIKeyPILOKWSPMTYBIS-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36860927
N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-methylbenzamide
CID 54827428

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840596) is 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PILOKWSPMTYBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-25-17-10-6-9-16(12-17)21-18(23)13-20-15-8-5-7-14(11-15)19(24)22(2)3/h5-12,20H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).