Chemical ID: 5553408

CCN(CCC(=O)Nc1cc(ccc1C)C)Cc2ccccc2
Chemical ID:
5553408
Name [?]:
3-(benzyl-ethyl-amino)-N-(2,5-dimethylphenyl)-propanamide
SMILES [?]:
CCN(CCC(=O)Nc1cc(ccc1C)C)Cc2ccccc2
InChi [?]:
InChI=1/C20H26N2O/c1-4-22(15-18-8-6-5-7-9-18)13-12-20(23)21-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,15,2,21,20,22,19,23,12,13,5,4,10,17,11,14,18,9,6,8,3,7/E:(6,7)(8,9)/rA:23cCCNCCCONCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s11;s3;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:11.4201
Area:555.012
Solvation:-2.45518
Coulombic:-27.2226
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:310.433
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):3.82

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Descriptor Annotations

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