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Chemical ID: 4428808
Chemical ID:
4428808
Name [?]:
N-benzyl-3-phenyl-N-tert-butyl-propanamide
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C20H25NO/c1-20(2,3)21(16-18-12-8-5-9-13-18)19(22)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,10,19,21,9,11,18,22,8,12,16,15,6,17,7,13,2,5,14/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6437 |
Area: | 507.083 |
Solvation: | -2.03333 |
Coulombic: | -19.4727 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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