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Chemical ID: 4161997

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3

Chemical ID:

4161997

Name [?]:

ethyl 4-[2-[4-(benzylcarbamoyl)phenoxy]acetyl]aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3

InChi [?]:

InChI=1/C25H24N2O5/c1-2-31-25(30)20-8-12-21(13-9-20)27-23(28)17-32-22-14-10-19(11-15-22)24(29)26-16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,30,29,31,28,32,7,11,19,21,8,10,18,22,26,15,27,20,6,9,17,13,23,4,25,12,14,24,5,3,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCCOCOCCCCCCNCOCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0787
Area:	720.653
Solvation:	-5.93762
Coulombic:	-71.1745

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.469
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.15
LogP (Chemaxon):	3.44

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

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Chemical Mix	Source	External ID	Descriptor	Value