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Chemical ID: 4999042

CCCCNCC(=O)Nc1cc(c(c(c1)NC(=O)CNCCCC)C)NC(=O)CNCCCC

Chemical ID:

4999042

Name [?]:

N-[3,5-bis[(2-butylaminoacetyl)amino]-4-methyl-phenyl]-2-butylamino-acetamide

SMILES [?]:

CCCCNCC(=O)Nc1cc(c(c(c1)NC(=O)CNCCCC)C)NC(=O)CNCCCC

InChi [?]:

InChI=1/C25H44N6O3/c1-5-8-11-26-16-23(32)29-20-14-21(30-24(33)17-27-12-9-6-2)19(4)22(15-20)31-25(34)18-28-13-10-7-3/h14-15,26-28H,5-13,16-18H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)

InChi Info:

AuxInfo=1/1/N:1,24,34,25,2,23,33,3,22,32,4,21,31,15,11,6,19,29,13,10,14,12,7,17,27,5,20,30,9,16,26,8,18,28/E:(2,3)(6,7)(9,10)(12,13)(14,15)(17,18)(21,22)(24,25)(27,28)(30,31)(33,34)/gE:(2,3)/rA:34nCCCCNCCONCCCCCCNCOCNCCCCCNCOCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;s20;s21;s22;s23;s13;s12;s26;d27;s27;s29;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₄₄N₆O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.3762
Area:	838.703
Solvation:	-6.59133
Coulombic:	-85.667

Bond Count [?]

All:	34
Single:	28
Double:	6
Rotors:	21
Chiral:	0
Rigid Segments:	13

Chemical Properties

Molecular Weight:	476.655
H-Bond Donors:	6
H-Bond Acceptors:	9
XLogP:	1.92
LogP (Chemaxon):	1.33

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

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Chemical Mix	Source	External ID	Descriptor	Value