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Chemical ID: 5384444
Chemical ID:
5384444
Name [?]:
N-[(4-benzyloxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)CC(C)C
InChi [?]:
InChI=1/C24H32N2O3/c1-17(2)14-22(27)25-24(26-23(28)15-18(3)4)20-10-12-21(13-11-20)29-16-19-8-6-5-7-9-19/h5-13,17-18,24H,14-16H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,20,19,21,18,22,10,14,11,13,4,26,16,2,27,17,9,12,5,24,8,7,23,6,25,15/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7257 |
Area: | 668.759 |
Solvation: | -4.99328 |
Coulombic: | -50.6697 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 396.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.44 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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