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Chemical ID: 6036891
Chemical ID:
6036891
Name [?]:
N-cyclopropyl-2-methyl-N-[2-[2-(1-piperidyl)ethylcarbamoyl]ethyl]furan-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)N(CCC(=O)NCCN2CCCCC2)C3CC3
InChi [?]:
InChI=1/C19H29N3O3/c1-15-17(8-14-25-15)19(24)22(16-5-6-16)12-7-18(23)20-9-13-21-10-3-2-4-11-21/h8,14,16H,2-7,9-13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,24,25,11,4,15,18,22,10,16,5,2,23,3,12,7,14,17,9,13,8,6/E:(3,4)(5,6)(10,11)/rA:25nCCCCCOCONCCCONCCNCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s17s21;s9;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6693 |
Area: | 578.015 |
Solvation: | -3.78113 |
Coulombic: | -47.8215 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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