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Chemical ID: 4567366

Cc1ccc(cc1)C(CC(=O)NCCC(c2ccc(cc2)OC)C(C)C)c3ccc(cc3)OC(C)C

Chemical ID:

4567366

Name [?]:

3-(4-isopropoxyphenyl)-N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-3-(p-tolyl)propanamide

SMILES [?]:

Cc1ccc(cc1)C(CC(=O)NCCC(c2ccc(cc2)OC)C(C)C)c3ccc(cc3)OC(C)C

InChi [?]:

InChI=1/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:25,26,35,36,1,23,3,7,4,6,17,21,28,32,18,20,29,31,14,13,9,24,34,2,16,5,27,19,30,15,8,10,12,11,22,33/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCCCCONCCCCCCCCCOCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s15;s24;s24;s8;s27;d28;s29;d30;d27s31;s30;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₄₁NO₃
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	14.6318
Area:	797.162
Solvation:	-5.2973
Coulombic:	-39.0752

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	487.673
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.85
LogP (Chemaxon):	7.2

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

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Chemical Mix	Source	External ID	Descriptor	Value