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Chemical ID: 6369131

CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OCC

Chemical ID:

6369131

Name [?]:

4-ethoxy-N-[4-[4-(4-ethoxybenzoyl)aminophenoxy]phenyl]-benzamide

SMILES [?]:

CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OCC

InChi [?]:

InChI=1/C30H28N2O5/c1-3-35-25-13-5-21(6-14-25)29(33)31-23-9-17-27(18-10-23)37-28-19-11-24(12-20-28)32-30(34)22-7-15-26(16-8-22)36-4-2/h5-20H,3-4H2,1-2H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,37,2,36,6,8,30,34,14,18,22,24,5,9,31,33,15,17,21,25,7,29,13,23,4,32,16,20,10,27,12,26,11,28,3,35,19/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)/rA:37nCCOCCCCCCCONCCCCCCOCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.219
Area:	782.546
Solvation:	-6.34462
Coulombic:	-66.1315

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	496.554
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.7
LogP (Chemaxon):	5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value