Chemical ID: 5914165

Cc1cccc(c1)C(=O)N(CC=C)CC(=O)N(Cc2ccco2)CC3CCCO3
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

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Descriptor Annotations

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