Chemical ID: 6433150

CCCOc1ccc(cc1OCC)C=NNC(=O)C(=O)Nc2ccc(c(c2)C)C
Chemical ID:
6433150
Name [?]:
N'-(3,4-dimethylphenyl)-N-[(3-ethoxy-4-propoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
CCCOc1ccc(cc1OCC)C=NNC(=O)C(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C22H27N3O4/c1-5-11-29-19-10-8-17(13-20(19)28-6-2)14-23-25-22(27)21(26)24-18-9-7-15(3)16(4)12-18/h7-10,12-14H,5-6,11H2,1-4H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,29,28,2,12,24,7,23,6,3,27,9,14,25,26,8,22,5,10,19,17,15,21,16,20,18,11,4/rA:29nCCCOCCCCCCOCCCNNCOCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;w14;s15;s16;d17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.69
Area:667.689
Solvation:-6.00218
Coulombic:-58.5652
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:397.468
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.66
LogP (Chemaxon):4.56

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