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Chemical ID: 5872809
Chemical ID:
5872809
Name [?]:
2-amino-N-(3,3-diphenylpropyl)-3-methyl-pentanamide
SMILES [?]:
CCC(C)C(C(=O)NCCC(c1ccccc1)c2ccccc2)N
InChi [?]:
InChI=1/C21H28N2O/c1-3-16(2)20(22)21(24)23-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-20H,3,14-15,22H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,2,15,21,14,16,20,22,13,17,19,23,10,9,3,12,18,11,5,6,24,8,7/E:(4,5)(6,7,8,9)(10,11,12,13)(17,18)/rA:24cCCCCCCONCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.9536 |
Area: | 574.977 |
Solvation: | -2.42083 |
Coulombic: | -38.023 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 324.46 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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