3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C21H27N3O4 — CID 54814173

IUPAC3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1
InChIInChI=1S/C21H27N3O4/c1-24(2)21(26)11-8-15-6-5-7-16(12-15)23-20(25)14-22-18-13-17(27-3)9-10-19(18)28-4/h5-7,9-10,12-13,22H,8,11,14H2,1-4H3,(H,23,25)
InChIKeyMLGURHAURSBIDU-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.78
Rot. Bonds9

About 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54814173) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54814173
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1
InChIInChI=1S/C21H27N3O4/c1-24(2)21(26)11-8-15-6-5-7-16(12-15)23-20(25)14-22-18-13-17(27-3)9-10-19(18)28-4/h5-7,9-10,12-13,22H,8,11,14H2,1-4H3,(H,23,25)
InChIKeyMLGURHAURSBIDU-UHFFFAOYSA-N
XLogP2.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825729
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54814173) is 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is COc1ccc(OC)c(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is MLGURHAURSBIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24(2)21(26)11-8-15-6-5-7-16(12-15)23-20(25)14-22-18-13-17(27-3)9-10-19(18)28-4/h5-7,9-10,12-13,22H,8,11,14H2,1-4H3,(H,23,25).
What are the key properties of 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54814173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).