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Chemical ID: 7267910
Chemical ID:
7267910
Name [?]:
2-[(4-methoxyphenyl)methyl-methyl-amino]-N-tetralin-1-yl-propanamide
SMILES [?]:
CC(C(=O)NC1CCCc2c1cccc2)N(C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H28N2O2/c1-16(24(2)15-17-11-13-19(26-3)14-12-17)22(25)23-21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-14,16,21H,6,8,10,15H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,26,14,13,8,15,9,12,7,20,24,21,23,18,2,19,10,22,11,6,3,5,16,4,25/E:(11,12)(13,14)/rA:26cCCCONCCCCCCCCCCNCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;d11;s12;d13;d10s14;s2;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 54 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.0842 |
Area: | 566.371 |
Solvation: | -4.07508 |
Coulombic: | -35.7462 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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