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Chemical ID: 5892714
Chemical ID:
5892714
Name [?]:
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)CCC2CCCC2)C(=O)NC3CC3)N4CCCC4
InChi [?]:
InChI=1/C22H31N3O2/c26-21(12-7-16-5-1-2-6-16)23-18-10-11-20(25-13-3-4-14-25)19(15-18)22(27)24-17-8-9-17/h10-11,15-17H,1-9,12-14H2,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:14,15,25,26,13,16,11,21,22,1,2,10,24,27,5,12,20,6,4,3,8,17,7,19,23,9,18/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:27nCCCCCCNCOCCCCCCCCONCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s12s15;s4;d17;s17;s19;s20;s20s21;s3;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H31N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.711 |
Area: | 620.959 |
Solvation: | -3.81297 |
Coulombic: | -47.0461 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.64 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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