Chemical ID: 6009867

CCCCC(=O)N(CC1CCCO1)CC(=O)Nc2cc(on2)C
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

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Descriptor Annotations

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