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Chemical ID: 7022311

CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)N(C)C

Chemical ID:

7022311

Name [?]:

N-[5-diethylamino-5-[(4-dimethylaminophenyl)methyleneaminocarbamoyl]pentyl]benzamide

SMILES [?]:

CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)N(C)C

InChi [?]:

InChI=1/C26H37N5O2/c1-5-31(6-2)24(14-10-11-19-27-25(32)22-12-8-7-9-13-22)26(33)29-28-20-21-15-17-23(18-16-21)30(3)4/h7-9,12-13,15-18,20,24H,5-6,10-11,14,19H2,1-4H3,(H,27,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,5,32,33,2,4,17,16,18,8,9,15,19,7,26,30,27,29,10,24,25,14,28,6,12,20,11,23,22,31,3,13,21/E:(1,2)(3,4)(5,6)(8,9)(12,13)(15,16)(17,18)/rA:33cCCNCCCCCCCNCOCCCCCCCONNCCCCCCCNCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₇N₅O₂
All Atoms:	70
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.43
Area:	770.487
Solvation:	-5.83221
Coulombic:	-53.0523

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	15
Chiral:	1
Rigid Segments:	11

Chemical Properties

Molecular Weight:	451.604
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.25
LogP (Chemaxon):	4.19

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