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Chemical ID: 4195200

CC(=O)N(CCC(c1ccc(cc1)OC)C2CCOC(C2)(C)C)Cc3ccc(cc3)OC

Chemical ID:

4195200

Name [?]:

N-[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(4-methoxyphenyl)-propyl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES [?]:

CC(=O)N(CCC(c1ccc(cc1)OC)C2CCOC(C2)(C)C)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C27H37NO4/c1-20(29)28(19-21-6-10-24(30-4)11-7-21)16-14-26(22-8-12-25(31-5)13-9-22)23-15-17-32-27(2,3)18-23/h6-13,23,26H,14-19H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,22,23,32,15,26,30,9,13,27,29,10,12,6,17,5,18,21,24,2,25,8,16,28,11,7,20,4,3,31,14,19/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:32cCCONCCCCCCCCCOCCCCOCCCCCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s7;s16;s17;s18;s19;s16s20;s20;s20;s4;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₇NO₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	10.6402
Area:	690.735
Solvation:	-6.62822
Coulombic:	-39.2406

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	439.587
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.91
LogP (Chemaxon):	3.75

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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