4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide

C22H28N4O3 — CID 54834231

IUPAC4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-5-26(6-2)22(29)17-7-9-18(10-8-17)23-15-21(28)24-19-11-13-20(14-12-19)25(4)16(3)27/h7-14,23H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyYDOYNYQBBNPURX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.20
Rot. Bonds8

About 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide

4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54834231) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54834231
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-5-26(6-2)22(29)17-7-9-18(10-8-17)23-15-21(28)24-19-11-13-20(14-12-19)25(4)16(3)27/h7-14,23H,5-6,15H2,1-4H3,(H,24,28)
InChIKeyYDOYNYQBBNPURX-UHFFFAOYSA-N
XLogP3.20
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54834231) is 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is YDOYNYQBBNPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-26(6-2)22(29)17-7-9-18(10-8-17)23-15-21(28)24-19-11-13-20(14-12-19)25(4)16(3)27/h7-14,23H,5-6,15H2,1-4H3,(H,24,28).
What are the key properties of 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54834231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).