Chemical ID: 6009901

CCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)Nc3cc(on3)C
Chemical ID:
6009901
Name [?]:
4-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C20H25N3O4/c1-3-15-6-8-16(9-7-15)20(25)23(12-17-5-4-10-26-17)13-19(24)21-18-11-14(2)27-22-18/h6-9,11,17H,3-5,10,12-13H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,15,14,4,8,5,7,16,23,12,18,24,3,6,13,22,19,9,21,26,11,20,10,17,25/E:(6,7)(8,9)/rA:27cCCCCCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;s22;d23;s24;d22s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.336
Area:597.882
Solvation:-4.61104
Coulombic:-50.329
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.43
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.59

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Descriptor Annotations

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