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Chemical ID: 6321019
Chemical ID:
6321019
Name [?]:
3-(benzyl-ethyl-amino)-N-(2-methoxyphenyl)-propanamide
SMILES [?]:
CCN(CCC(=O)Nc1ccccc1OC)Cc2ccccc2
InChi [?]:
InChI=1/C19H24N2O2/c1-3-21(15-16-9-5-4-6-10-16)14-13-19(22)20-17-11-7-8-12-18(17)23-2/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,21,20,22,11,12,19,23,10,13,5,4,17,18,9,14,6,8,3,7,15/E:(5,6)(9,10)/rA:23cCCNCCCONCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s3;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2315 |
Area: | 547.956 |
Solvation: | -3.4674 |
Coulombic: | -34.9126 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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