Chemical ID: 5909013

CC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3
Chemical ID:
5909013
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C25H28N2O3/c1-20(2)27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-17-30-23)16-15-21-10-5-3-6-11-21/h3-14,17,20H,15-16,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,28,13,15,27,29,20,12,16,26,30,19,10,9,21,17,5,2,11,25,18,6,23,8,4,7,24,22/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.6021
Area:629.029
Solvation:-4.12367
Coulombic:-43.7154
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.501
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):3.87

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Descriptor Annotations

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