Chemical ID: 6005177

CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2cc(on2)C
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

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