3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide

C21H27N3O4 — CID 41397412

IUPAC3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(OCC)ccc2OCC)c1
InChIInChI=1S/C21H27N3O4/c1-4-22-21(26)15-8-7-9-16(12-15)24-20(25)14-23-18-13-17(27-5-2)10-11-19(18)28-6-3/h7-13,23H,4-6,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyNVGKBNSFTNBQEE-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.28
Rot. Bonds10

About 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide

3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide (PubChem CID 41397412) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
PubChem CID41397412
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(OCC)ccc2OCC)c1
InChIInChI=1S/C21H27N3O4/c1-4-22-21(26)15-8-7-9-16(12-15)24-20(25)14-23-18-13-17(27-5-2)10-11-19(18)28-6-3/h7-13,23H,4-6,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyNVGKBNSFTNBQEE-UHFFFAOYSA-N
XLogP3.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 47079023
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
CID 34067115

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide (CID 41397412) is 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2cc(OCC)ccc2OCC)c1.
What is the InChIKey of 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide?
The InChIKey is NVGKBNSFTNBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-4-22-21(26)15-8-7-9-16(12-15)24-20(25)14-23-18-13-17(27-5-2)10-11-19(18)28-6-3/h7-13,23H,4-6,14H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 41397412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).