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Chemical ID: 5258662
Chemical ID:
5258662
Name [?]:
N-(6-pyrrolidin-2-ylcarbonylaminohexyl)pyrrolidine-2-carboxamide
SMILES [?]:
C1CC(NC1)C(=O)NCCCCCCNC(=O)C2CCCN2
InChi [?]:
InChI=1/C16H30N4O2/c21-15(13-7-5-11-17-13)19-9-3-1-2-4-10-20-16(22)14-8-6-12-18-14/h13-14,17-18H,1-12H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:11,12,10,13,1,20,2,19,9,14,5,21,3,18,6,16,4,22,8,15,7,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22cCCCNCCONCCCCCCNCOCCCCN/rB:s1;s2;s3;s1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.95456 |
Area: | 577.685 |
Solvation: | -4.48758 |
Coulombic: | -58.5832 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 310.435 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.43 |
LogP (Chemaxon): | -0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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