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Chemical ID: 6005177
Chemical ID:
6005177
Name [?]:
4-ethyl-N-(3-methoxypropyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C19H25N3O4/c1-4-15-6-8-16(9-7-15)19(24)22(10-5-11-25-3)13-18(23)20-17-12-14(2)26-21-17/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,2,13,4,8,5,7,12,14,22,17,23,3,6,21,18,9,20,25,11,19,10,15,24/E:(6,7)(8,9)/rA:26nCCCCCCCCCONCCCOCCCONCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s11;s17;d18;s18;s20;s21;d22;s23;d21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69072 |
Area: | 605.746 |
Solvation: | -5.45294 |
Coulombic: | -49.3915 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 359.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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