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Chemical ID: 3944536

Chemical ID:

3944536

Name [?]:

N'-cyclohexyl-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)N2CCCC2C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C19H27N3O2/c1-14-9-11-16(12-10-14)21-19(24)22-13-5-8-17(22)18(23)20-15-6-3-2-4-7-15/h9-12,15,17H,2-8,13H2,1H3,(H,20,23)(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,13,20,24,14,3,7,4,6,12,2,19,5,15,16,9,18,8,11,17,10/E:(3,4)(6,7)(9,10)(11,12)/rA:24cCCCCCCCNCONCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₇N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3225
Area:	548.183
Solvation:	-3.38208
Coulombic:	-51.7861

Bond Count [?]

All:	26
Single:	21
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	329.437
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.1
LogP (Chemaxon):	3.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value