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Chemical ID: 6018425

Cn1cc(c2c1cccc2)C(Cc3ccccc3)CC(=O)NC4CCCCC4

Chemical ID:

6018425

Name [?]:

N-cyclohexyl-3-(1-methylindol-3-yl)-4-phenyl-butanamide

SMILES [?]:

Cn1cc(c2c1cccc2)C(Cc3ccccc3)CC(=O)NC4CCCCC4

InChi [?]:

InChI=1/C25H30N2O/c1-27-18-23(22-14-8-9-15-24(22)27)20(16-19-10-4-2-5-11-19)17-25(28)26-21-12-6-3-7-13-21/h2,4-5,8-11,14-15,18,20-21H,3,6-7,12-13,16-17H2,1H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,16,26,15,17,25,27,9,8,14,18,24,28,10,7,12,19,3,13,11,23,5,4,6,20,22,2,21/E:(4,5)(6,7)(10,11)(12,13)/rA:28cCNCCCCCCCCCCCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀N₂O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7417
Area:	594.253
Solvation:	-3.11462
Coulombic:	-28.6903

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	374.519
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.56
LogP (Chemaxon):	5.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value