Chemical ID: 6005175

CCCCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2cc(on2)C
Chemical ID:
6005175
Name [?]:
4-butyl-N-(3-methoxypropyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C21H29N3O4/c1-4-5-7-17-8-10-18(11-9-17)21(26)24(12-6-13-27-3)15-20(25)22-19-14-16(2)28-23-19/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,18,2,3,15,4,6,10,7,9,14,16,24,19,25,5,8,23,20,11,22,27,13,21,12,17,26/E:(8,9)(10,11)/rA:28nCCCCCCCCCCCONCCCOCCCONCCCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s13;s19;d20;s20;s22;s23;d24;s25;d23s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9778
Area:658.33
Solvation:-5.48045
Coulombic:-50.0359
Bond Count [?]
All:29
Single:22
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:387.473
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):3.03

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Descriptor Annotations

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