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Chemical ID: 6009867
Chemical ID:
6009867
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CC1CCCO1)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C16H25N3O4/c1-3-4-7-16(21)19(10-13-6-5-8-22-13)11-15(20)17-14-9-12(2)23-18-14/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,11,10,4,12,19,8,14,20,9,18,15,5,17,22,7,16,6,13,21/rA:23cCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s9s12;s7;s14;d15;s15;s17;s18;d19;s20;d18s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.94711 |
Area: | 559.342 |
Solvation: | -5.03644 |
Coulombic: | -47.2523 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 323.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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