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Chemical ID: 6006810

COc1ccc(cc1)NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c3ccccc3

Chemical ID:

6006810

Name [?]:

N-benzyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]benzamide

SMILES [?]:

COc1ccc(cc1)NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C25H25N3O4/c1-32-22-14-12-21(13-15-22)27-23(29)16-26-24(30)18-28(17-19-8-4-2-5-9-19)25(31)20-10-6-3-7-11-20/h2-15H,16-18H2,1H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,22,30,21,23,29,31,20,24,28,32,5,7,4,8,12,18,16,19,27,6,3,10,14,25,13,9,17,11,15,26,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCOCCCCCCNCOCNCOCNCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s17;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3938
Area:	682.949
Solvation:	-5.67991
Coulombic:	-67.9336

Bond Count [?]

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

Chemical Properties

Molecular Weight:	431.484
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.1
LogP (Chemaxon):	2.72

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