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Chemical ID: 7477739

Cc1ccc(cc1C)OCC(=O)NCCCNC(=O)COc2ccc(c(c2)C)C

Chemical ID:

7477739

Name [?]:

2-(3,4-dimethylphenoxy)-N-[3-[2-(3,4-dimethylphenoxy)acetyl]aminopropyl]acetamide

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)NCCCNC(=O)COc2ccc(c(c2)C)C

InChi [?]:

InChI=1/C23H30N2O4/c1-16-6-8-20(12-18(16)3)28-14-22(26)24-10-5-11-25-23(27)15-29-21-9-7-17(2)19(4)13-21/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,29,8,28,15,3,24,4,23,14,16,6,27,10,20,2,25,7,26,5,22,11,18,13,17,12,19,9,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCCOCCONCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₄
All Atoms:	59
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0545
Area:	697.135
Solvation:	-7.37392
Coulombic:	-56.4161

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	398.495
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.11
LogP (Chemaxon):	3.18

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

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Chemical Mix	Source	External ID	Descriptor	Value