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

C21H27N3O3 — CID 54817351

IUPAC3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3/c1-4-27-19-11-6-5-10-18(19)22-15-20(25)23-17-9-7-8-16(14-17)12-13-21(26)24(2)3/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,23,25)
InChIKeyTZFOOBBGXXOALF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.16
Rot. Bonds9

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

3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54817351) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54817351
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3/c1-4-27-19-11-6-5-10-18(19)22-15-20(25)23-17-9-7-8-16(14-17)12-13-21(26)24(2)3/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,23,25)
InChIKeyTZFOOBBGXXOALF-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825729
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54814173
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
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-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54817351) is 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is CCOc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is TZFOOBBGXXOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-27-19-11-6-5-10-18(19)22-15-20(25)23-17-9-7-8-16(14-17)12-13-21(26)24(2)3/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54817351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).