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Chemical ID: 5145221
Chemical ID:
5145221
Name [?]:
3,3-dimethyl-N-phenyl-2-[2-(phenylcarbamoyl)ethyl]cyclobutane-1-carboxamide
SMILES [?]:
CC1(CC(C1CCC(=O)Nc2ccccc2)C(=O)Nc3ccccc3)C
InChi [?]:
InChI=1/C22H26N2O2/c1-22(2)15-18(21(26)24-17-11-7-4-8-12-17)19(22)13-14-20(25)23-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,14,23,13,15,22,24,12,16,21,25,6,7,3,11,20,4,5,8,17,2,10,19,9,18/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:26cCCCCCCCCONCCCCCCCONCCCCCCC/rB:s1;s2;s3;s2s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;s20;d21;s22;d23;d20s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7029 |
Area: | 592.711 |
Solvation: | -3.11492 |
Coulombic: | -42.5536 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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