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Chemical ID: 6001932
Chemical ID:
6001932
Name [?]:
N-isobutyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-phenyl-benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H25N3O3/c1-16(2)14-26(15-22(27)24-21-13-17(3)29-25-21)23(28)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,16H,14-15H2,1-3H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:14,15,1,27,26,28,25,29,20,22,19,23,3,12,10,13,2,24,21,18,4,8,16,7,5,11,9,17,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCNONCOCNCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s13;s11;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: | 11.609 |
Area: | 630.314 |
Solvation: | -4.14881 |
Coulombic: | -44.005 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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