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Chemical ID: 5909464
Chemical ID:
5909464
Name [?]:
4-ethyl-N-isopropyl-N-[[2-methoxyethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N(CCOC)Cc2ccc(o2)C)C(C)C
InChi [?]:
InChI=1/C23H32N2O4/c1-6-19-8-10-20(11-9-19)23(27)25(17(2)3)16-22(26)24(13-14-28-5)15-21-12-7-18(4)29-21/h7-12,17H,6,13-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,29,26,19,2,23,4,8,5,7,22,16,17,20,12,27,24,3,6,21,13,9,15,11,14,10,18,25/E:(2,3)(8,9)(10,11)/rA:29nCCCCCCCCCONCCONCCOCCCCCCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15;s20;d21;s22;d23;s21s24;s24;s11;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09157 |
Area: | 609.785 |
Solvation: | -6.15307 |
Coulombic: | -47.9542 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 400.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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