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Chemical ID: 5911156
Chemical ID:
5911156
Name [?]:
N-benzyl-N-(2-furylmethyl)-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C21H21NO2/c23-21(14-13-18-8-3-1-4-9-18)22(17-20-12-7-15-24-20)16-19-10-5-2-6-11-19/h1-12,15H,13-14,16-17H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,22,3,5,14,18,21,7,8,23,12,19,4,13,20,9,11,10,24/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCCCCCCCCCONCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4243 |
Area: | 547.627 |
Solvation: | -3.26633 |
Coulombic: | -25.9099 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.67 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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