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Chemical ID: 7487728

Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)NC(=O)COc3cccc(c3)C)C

Chemical ID:

7487728

Name [?]:

N-[4-methyl-3-[2-(3-methylphenoxy)acetyl]amino-phenyl]-2-(3-methylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)NC(=O)COc3cccc(c3)C)C

InChi [?]:

InChI=1/C25H26N2O4/c1-17-6-4-8-21(12-17)30-15-24(28)26-20-11-10-19(3)23(14-20)27-25(29)16-31-22-9-5-7-18(2)13-22/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,31,4,26,3,27,5,25,15,14,7,29,18,9,22,2,28,16,13,6,24,17,10,20,12,19,11,21,8,23/rA:31nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₄
All Atoms:	57
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.92571
Area:	688.556
Solvation:	-7.28819
Coulombic:	-56.0693

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	418.485
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.43
LogP (Chemaxon):	4.46

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