3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide

C25H32N4O3 — CID 54831098

IUPAC3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-7-23(30)27-20-12-14-21(15-13-20)28-24(31)17-26-22-11-6-8-18(16-22)25(32)29-19-9-4-3-5-10-19/h6,8,11-16,19,26H,2-5,7,9-10,17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyCEEKBJFAXUKVCQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.54
Rot. Bonds9

About 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide

3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54831098) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54831098
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-7-23(30)27-20-12-14-21(15-13-20)28-24(31)17-26-22-11-6-8-18(16-22)25(32)29-19-9-4-3-5-10-19/h6,8,11-16,19,26H,2-5,7,9-10,17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyCEEKBJFAXUKVCQ-UHFFFAOYSA-N
XLogP4.54
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837306
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54831069
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54831098) is 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide is CCCC(=O)Nc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is CEEKBJFAXUKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-7-23(30)27-20-12-14-21(15-13-20)28-24(31)17-26-22-11-6-8-18(16-22)25(32)29-19-9-4-3-5-10-19/h6,8,11-16,19,26H,2-5,7,9-10,17H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 4.54, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54831098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).