3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide

C23H30N4O3 — CID 54837209

IUPAC3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-8-21(28)25-19-13-11-18(12-14-19)24-16-22(29)26-20-10-7-9-17(15-20)23(30)27(5-2)6-3/h7,9-15,24H,4-6,8,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIJAOTHHQEVGOSG-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.96
Rot. Bonds10

About 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 54837209) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID54837209
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-8-21(28)25-19-13-11-18(12-14-19)24-16-22(29)26-20-10-7-9-17(15-20)23(30)27(5-2)6-3/h7,9-15,24H,4-6,8,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIJAOTHHQEVGOSG-UHFFFAOYSA-N
XLogP3.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide (CID 54837209) is 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is IJAOTHHQEVGOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-8-21(28)25-19-13-11-18(12-14-19)24-16-22(29)26-20-10-7-9-17(15-20)23(30)27(5-2)6-3/h7,9-15,24H,4-6,8,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 3.96, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54837209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).