N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

C25H32N4O3 — CID 54846165

IUPACN-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)ccc1C
InChIInChI=1S/C25H32N4O3/c1-3-23(30)29-22-15-21(12-9-17(22)2)27-24(31)16-26-19-13-10-18(11-14-19)25(32)28-20-7-5-4-6-8-20/h9-15,20,26H,3-8,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyGOQWEPCNYDJVOE-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.46
Rot. Bonds8

About N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54846165) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54846165
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)ccc1C
InChIInChI=1S/C25H32N4O3/c1-3-23(30)29-22-15-21(12-9-17(22)2)27-24(31)16-26-19-13-10-18(11-14-19)25(32)28-20-7-5-4-6-8-20/h9-15,20,26H,3-8,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyGOQWEPCNYDJVOE-UHFFFAOYSA-N
XLogP4.46
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54846165) is N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)ccc1C.
What is the InChIKey of N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is GOQWEPCNYDJVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-23(30)29-22-15-21(12-9-17(22)2)27-24(31)16-26-19-13-10-18(11-14-19)25(32)28-20-7-5-4-6-8-20/h9-15,20,26H,3-8,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 436.56 g/mol, XLogP of 4.46, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54846165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).