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Chemical ID: 7038882
Chemical ID:
7038882
Name [?]:
N-[(3-benzyloxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CC(C)C
InChi [?]:
InChI=1/C24H32N2O3/c1-17(2)13-22(27)25-24(26-23(28)14-18(3)4)20-11-8-12-21(15-20)29-16-19-9-6-5-7-10-19/h5-12,15,17-18,24H,13-14,16H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,20,19,21,11,18,22,10,12,4,26,14,16,2,27,17,9,13,5,24,8,7,23,6,25,15/E:(1,2,3,4)(6,7)(9,10)(13,14)(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;s13;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3 |
All Atoms: | 61 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7999 |
Area: | 669.434 |
Solvation: | -4.93593 |
Coulombic: | -50.735 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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