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Chemical ID: 5873799
Chemical ID:
5873799
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-3-methyl-N-tetralin-1-yl-butanamide
SMILES [?]:
CC(C)CC(=O)N(Cc1ccc(cc1)N(C)C)C2CCCc3c2cccc3
InChi [?]:
InChI=1/C24H32N2O/c1-18(2)16-24(27)26(17-19-12-14-21(15-13-19)25(3)4)23-11-7-9-20-8-5-6-10-22(20)23/h5-6,8,10,12-15,18,23H,7,9,11,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,26,25,20,27,21,24,19,10,14,11,13,4,8,2,9,22,12,23,18,5,15,7,6/E:(1,2)(3,4)(12,13)(14,15)/rA:27cCCCCCONCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s15;s7;s18;s19;s20;s21;s18s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.289 |
Area: | 568.86 |
Solvation: | -2.93252 |
Coulombic: | -24.555 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.69 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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