Chemical ID: 3944930

COc1cccc(c1)NC(=O)N2CCCC2C(=O)NCCc3ccccc3
Chemical ID:
3944930
Name [?]:
N-(3-methoxyphenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)N2CCCC2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C21H25N3O3/c1-27-18-10-5-9-17(15-18)23-21(26)24-14-6-11-19(24)20(25)22-13-12-16-7-3-2-4-8-16/h2-5,7-10,15,19H,6,11-14H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,5,14,23,27,6,4,15,21,20,13,8,22,7,3,16,17,10,19,9,12,18,11,2/E:(3,4)(7,8)/rA:27cCOCCCCCCNCONCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3037
Area:612.831
Solvation:-5.0171
Coulombic:-59.2875
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.62
LogP (Chemaxon):2.81

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