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Chemical ID: 4955708
Chemical ID:
4955708
Name [?]:
4-dimethylamino-N,N-dimethyl-2,2-diphenyl-pentanamide
SMILES [?]:
CC(CC(c1ccccc1)(c2ccccc2)C(=O)N(C)C)N(C)C
InChi [?]:
InChI=1/C21H28N2O/c1-17(22(2)3)16-21(20(24)23(4)5,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,24,20,21,8,14,7,9,13,15,6,10,12,16,3,2,5,11,17,4,22,19,18/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,13,14,15)(18,19)/rA:24cCCCCCCCCCCCCCCCCCONCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s4;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;s19;s2;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.82919 |
Area: | 488.406 |
Solvation: | -2.38096 |
Coulombic: | -24.8038 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 324.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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