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Chemical ID: 6876068

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3OC)C

Chemical ID:

6876068

Name [?]:

4-[(4-ethoxyphenyl)carbamoylmethoxy]-N-(2-methoxy-5-methyl-phenyl)-benzamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3OC)C

InChi [?]:

InChI=1/C25H26N2O5/c1-4-31-20-12-8-19(9-13-20)26-24(28)16-32-21-10-6-18(7-11-21)25(29)27-22-15-17(2)5-14-23(22)30-3/h5-15H,4,16H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,32,31,2,27,17,19,6,8,16,20,5,9,28,25,13,26,18,7,4,15,24,29,11,21,10,23,12,22,30,3,14/E:(6,7)(8,9)(10,11)(12,13)/rA:32nCCOCCCCCCNCOCOCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3469
Area:	702.224
Solvation:	-7.20868
Coulombic:	-64.5348

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	434.484
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.34
LogP (Chemaxon):	4.24

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