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Chemical ID: 7037977

CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C

Chemical ID:

7037977

Name [?]:

N-[(3-ethoxy-4-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide

SMILES [?]:

CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C26H28N2O4/c1-5-32-23-16-21(14-15-22(23)31-4)24(27-25(29)19-10-6-17(2)7-11-19)28-26(30)20-12-8-18(3)9-13-20/h6-16,24H,5H2,1-4H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,22,32,11,2,18,20,28,30,17,21,27,31,7,8,5,19,29,16,26,6,9,4,12,14,24,13,23,15,25,10,3/E:(2,3)(6,7,8,9)(10,11,12,13)(17,18)(19,20)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₄
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8986
Area:	700.523
Solvation:	-6.6145
Coulombic:	-59.7248

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.45
LogP (Chemaxon):	4.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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