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Chemical ID: 6876064

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3C)C

Chemical ID:

6876064

Name [?]:

N-(2,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3C)C

InChi [?]:

InChI=1/C25H26N2O4/c1-4-30-21-12-8-20(9-13-21)26-24(28)16-31-22-10-6-19(7-11-22)25(29)27-23-14-5-17(2)15-18(23)3/h5-15H,4,16H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,31,30,2,26,17,19,6,8,16,20,5,9,25,28,13,27,29,18,7,4,15,24,11,21,10,23,12,22,3,14/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCOCCCCCCNCOCOCCCCCCCONCCCCCCCC/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.9287
Area:	687.87
Solvation:	-6.26809
Coulombic:	-56.9677

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:	4.65
LogP (Chemaxon):	4.31

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