Chemical ID: 5856667

CCOc1cc(ccc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)C
Chemical ID:
5856667
Name [?]:
N-[1-[(3-ethoxy-4-methoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-methyl-benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C23H29N3O4/c1-6-30-20-13-17(9-12-19(20)29-5)14-24-26-23(28)21(15(2)3)25-22(27)18-10-7-16(4)8-11-18/h7-15,21H,6H2,1-5H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,19,20,30,11,2,26,28,7,25,29,8,5,12,18,27,6,24,9,4,17,22,15,13,21,14,23,16,10,3/E:(2,3)(7,8)(10,11)/rA:30cCCOCCCCCCOCCNNCOCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;s14;d15;s15;s17;s18;s18;s17;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.75393
Area:664.525
Solvation:-6.8592
Coulombic:-55.9781
Bond Count [?]
All:31
Single:22
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:411.494
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.77
LogP (Chemaxon):3.88

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Descriptor Annotations

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