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Chemical ID: 5914165
Chemical ID:
5914165
Name [?]:
N-allyl-N-[(2-furylmethyl-(tetrahydrofuran-2-ylmethyl)carbamoyl)methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CC=C)CC(=O)N(Cc2ccco2)CC3CCCO3
InChi [?]:
InChI=1/C23H28N2O4/c1-3-11-24(23(27)19-8-4-7-18(2)14-19)17-22(26)25(15-20-9-5-12-28-20)16-21-10-6-13-29-21/h3-5,7-9,12,14,21H,1,6,10-11,13,15-17H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,4,21,27,3,5,20,26,11,22,28,7,18,24,14,2,6,19,25,15,8,10,17,16,9,23,29/rA:29cCCCCCCCCONCCCCCONCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;s17;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1347 |
Area: | 595.909 |
Solvation: | -4.76304 |
Coulombic: | -51.0694 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 396.479 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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