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Chemical ID: 5550415
Chemical ID:
5550415
Name [?]:
3,5-dimethoxy-N-[(1-methyl-3-phenyl-propyl)carbamoylmethyl]benzamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)CNC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C21H26N2O4/c1-15(9-10-16-7-5-4-6-8-16)23-20(24)14-22-21(25)17-11-18(26-2)13-19(12-17)27-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,27,8,7,9,6,10,3,4,23,19,21,14,2,5,18,22,20,12,16,15,11,13,17,24,26/E:(2,3)(5,6)(7,8)(11,12)(18,19)(26,27)/rA:27cCCCCCCCCCCNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4368 |
Area: | 634.614 |
Solvation: | -5.42853 |
Coulombic: | -57.7899 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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