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Chemical ID: 5858875

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccc(c(c2)C)N3CCCC3

Chemical ID:

5858875

Name [?]:

4-methyl-N-[2-methyl-1-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methyleneaminocarbamoyl]propyl]-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccc(c(c2)C)N3CCCC3

InChi [?]:

InChI=1/C25H32N4O2/c1-17(2)23(27-24(30)21-10-7-18(3)8-11-21)25(31)28-26-16-20-9-12-22(19(4)15-20)29-13-5-6-14-29/h7-12,15-17,23H,5-6,13-14H2,1-4H3,(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:13,14,1,26,29,30,3,7,21,4,6,22,28,31,25,19,12,2,24,20,5,23,11,8,15,18,10,17,27,9,16/E:(1,2)(5,6)(7,8)(10,11)(13,14)/rA:31cCCCCCCCCONCCCCCONNCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s23;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9918
Area:	678.057
Solvation:	-3.95961
Coulombic:	-48.8159

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	420.547
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.72
LogP (Chemaxon):	5.1

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