Chemical ID: 5839605

CC(=O)NCC(=O)N(C)C1(CCCCC1)C(=O)Nc2ccc(cc2)OC
Chemical ID:
5839605
Name [?]:
1-[(2-acetamidoacetyl)-methyl-amino]-N-(4-methoxyphenyl)-cyclohexane-1-carboxamide
SMILES [?]:
CC(=O)NCC(=O)N(C)C1(CCCCC1)C(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H27N3O4/c1-14(23)20-13-17(24)22(2)19(11-5-4-6-12-19)18(25)21-15-7-9-16(26-3)10-8-15/h7-10H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,9,26,13,12,14,20,24,21,23,11,15,5,2,19,22,6,16,10,4,18,8,3,7,17,25/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCONCCONCCCCCCCCONCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s8;s10;s11;s12;s13;s10s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.66212
Area:573.95
Solvation:-4.68664
Coulombic:-65.2565
Bond Count [?]
All:27
Single:21
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:361.435
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.26
LogP (Chemaxon):0.78

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