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Chemical ID: 5612343

CCCCCc1ccc(cc1)C2CCC(CC2)C(=O)NC(C)c3ccccc3

Chemical ID:

5612343

Name [?]:

4-(4-pentylphenyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide

SMILES [?]:

CCCCCc1ccc(cc1)C2CCC(CC2)C(=O)NC(C)c3ccccc3

InChi [?]:

InChI=1/C26H35NO/c1-3-4-6-9-21-12-14-23(15-13-21)24-16-18-25(19-17-24)26(28)27-20(2)22-10-7-5-8-11-22/h5,7-8,10-15,20,24-25H,3-4,6,9,16-19H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,2,3,26,4,25,27,5,24,28,7,11,8,10,13,17,14,16,21,6,23,9,12,15,18,20,19/E:(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:28cCCCCCCCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₅NO
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5526
Area:	666.121
Solvation:	-2.10045
Coulombic:	-26.0905

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	377.562
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.85
LogP (Chemaxon):	6.88

Name Annotations

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

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