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Chemical ID: 4528536
Chemical ID:
4528536
Name [?]:
N-isopropyl-3,3-diphenyl-propanamide
SMILES [?]:
CC(C)NC(=O)CC(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C18H21NO/c1-14(2)19-18(20)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,12,18,11,13,17,19,10,14,16,20,7,2,9,15,8,5,4,6/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(15,16)/rA:20nCCCNCOCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68755 |
Area: | 479.098 |
Solvation: | -2.2899 |
Coulombic: | -23.4967 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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