Chemical ID: 6009903

CCCCCCC(=O)N(CC1CCCO1)CC(=O)Nc2cc(on2)C
Chemical ID:
6009903
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CC1CCCO1)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C18H29N3O4/c1-3-4-5-6-9-18(23)21(12-15-8-7-10-24-15)13-17(22)19-16-11-14(2)25-20-16/h11,15H,3-10,12-13H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,5,13,12,6,14,21,10,16,22,11,20,17,7,19,24,9,18,8,15,23/rA:25cCCCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;s9;s16;d17;s17;s19;s20;d21;s22;d20s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.272
Area:612.116
Solvation:-5.03094
Coulombic:-47.8565
Bond Count [?]
All:26
Single:22
Double:4
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:351.441
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):2.2

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Experimental Annotations

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Descriptor Annotations

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