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Chemical ID: 5976137

CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C

Chemical ID:

5976137

Name [?]:

N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-4-hexyl-benzamide

SMILES [?]:

CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C

InChi [?]:

InChI=1/C26H35N3O2/c1-4-5-6-7-10-20-11-13-21(14-12-20)25(30)27-22-15-16-24(28(2)3)23(19-22)26(31)29-17-8-9-18-29/h11-16,19H,4-10,17-18H2,1-3H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,30,31,2,3,4,5,26,27,6,8,12,9,11,17,18,25,28,21,7,10,16,20,19,13,22,15,29,24,14,23/E:(2,3)(8,9)(11,12)(13,14)(17,18)/rA:31nCCCCCCCCCCCCCONCCCCCCCONCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;s25;s26;s24s27;s19;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₅N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8523
Area:	706.667
Solvation:	-3.81436
Coulombic:	-46.4162

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	421.575
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.43
LogP (Chemaxon):	5.29

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