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Chemical ID: 5894128
Chemical ID:
5894128
Name [?]:
5-[(3-ethylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)CC
InChi [?]:
InChI=1/C23H30N4O2/c1-3-12-24-22(28)20-16-19(10-11-21(20)27-13-5-6-14-27)26-23(29)25-18-9-7-8-17(4-2)15-18/h7-11,15-16H,3-6,12-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,15,16,24,25,23,10,11,3,14,17,27,8,26,22,9,7,12,5,19,4,21,18,13,6,20/E:(5,6)(13,14)/rA:29nCCCNCOCCCCCCNCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s13s16;s9;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5104 |
Area: | 653.438 |
Solvation: | -3.8256 |
Coulombic: | -62.0659 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 394.51 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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