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Chemical ID: 3941178
Chemical ID:
3941178
Name [?]:
N'-(3,4-dimethoxyphenyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)C2CCCN2C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H23N3O4/c1-26-17-11-10-15(13-18(17)27-2)21-19(24)16-9-6-12-23(16)20(25)22-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,10,25,24,26,16,23,27,15,5,4,17,7,22,6,14,3,8,12,19,11,21,18,13,20,2,9/E:(4,5)(7,8)/rA:27cCOCCCCCCOCNCOCCCCNCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.73086 |
Area: | 586.752 |
Solvation: | -6.93794 |
Coulombic: | -64.1954 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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