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Chemical ID: 5876269

CCC(C)N(Cc1ccc(c(c1)OC)OCc2ccccc2)C(=O)C3CCCCC3

Chemical ID:

5876269

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-sec-butyl-cyclohexanecarboxamide

SMILES [?]:

CCC(C)N(Cc1ccc(c(c1)OC)OCc2ccccc2)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C26H35NO3/c1-4-20(2)27(26(28)23-13-9-6-10-14-23)18-22-15-16-24(25(17-22)29-3)30-19-21-11-7-5-8-12-21/h5,7-8,11-12,15-17,20,23H,4,6,9-10,13-14,18-19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,4,14,2,20,28,19,21,27,29,18,22,26,30,8,9,12,6,16,3,17,7,25,10,11,23,5,24,13,15/E:(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCNCCCCCCCOCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;d18;s19;d20;d17s21;s5;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₅NO₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.877
Area:	642.57
Solvation:	-5.18727
Coulombic:	-34.1332

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	409.561
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.99
LogP (Chemaxon):	5.61

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