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Chemical ID: 6631988
Chemical ID:
6631988
Name [?]:
4-butoxy-N-(p-tolylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)C
InChi [?]:
InChI=1/C21H25N3O3/c1-3-4-13-27-19-11-9-18(10-12-19)21(26)22-15-20(25)24-23-14-17-7-5-16(2)6-8-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,23,25,22,26,8,10,7,11,4,20,15,24,21,9,6,16,12,14,19,18,17,13,5/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCOCCCCCCCONCCONNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1298 |
Area: | 646.736 |
Solvation: | -5.03857 |
Coulombic: | -49.1745 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.87 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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