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Chemical ID: 4136996
Chemical ID:
4136996
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-(p-tolyl)oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C20H23N3O3/c1-3-4-13-26-18-11-7-16(8-12-18)14-21-23-20(25)19(24)22-17-9-5-15(2)6-10-17/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,22,24,8,10,21,25,7,11,4,12,23,9,20,6,17,15,13,19,14,18,16,5/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCOCCCCCCCNNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4288 |
Area: | 612.053 |
Solvation: | -3.8725 |
Coulombic: | -52.8845 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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