Chemical ID: 6915729

CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N
Chemical ID:
6915729
Name [?]:
N-[(4-aminocyclohexyl)methyl]-1-(2-methylamino-3-phenyl-propanoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N
InChi [?]:
InChI=1/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,15,6,10,16,23,27,24,26,14,4,21,5,22,25,3,17,18,11,28,2,20,13,19,12/E:(3,4)(6,7)(9,10)(11,12)/rA:28cCNCCCCCCCCCONCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H34N4O2
All Atoms:62
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.0058
Area:629.78
Solvation:-4.73872
Coulombic:-59.3133
Bond Count [?]
All:30
Single:25
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.531
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.61
LogP (Chemaxon):1.13

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Descriptor Annotations

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