Chemical ID: 6002306

CCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc(cc2)c3ccccc3
Chemical ID:
6002306
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-N-pentyl-4-phenyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H25N3O3/c1-2-3-7-15-26(17-22(27)24-21-14-16-29-25-21)23(28)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-14,16H,2-3,7,15,17H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,26,28,4,25,29,20,22,19,23,12,5,13,7,24,21,18,11,8,16,10,15,6,9,17,14/E:(5,6)(8,9)(10,11)(12,13)/rA:29nCCCCCNCCONCCCONCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7392
Area:642.428
Solvation:-4.32148
Coulombic:-44.1761
Bond Count [?]
All:31
Single:21
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:391.463
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.21
LogP (Chemaxon):4.76

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Descriptor Annotations

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