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Chemical ID: 6009879
Chemical ID:
6009879
Name [?]:
3-cyclopentyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CC2CCCO2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C19H29N3O4/c1-14-11-17(21-26-14)20-18(23)13-22(12-16-7-4-10-25-16)19(24)9-8-15-5-2-3-6-15/h11,15-16H,2-10,12-13H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,15,23,26,14,21,20,16,3,12,10,2,22,13,4,8,18,7,5,11,9,19,17,6/E:(2,3)(5,6)/rA:26cCCCCNONCOCNCCCCCOCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.59377 |
Area: | 588.083 |
Solvation: | -5.10831 |
Coulombic: | -47.7165 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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