Chemical ID: 5911997

CC(C)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C4CC4
Chemical ID:
5911997
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-cyclopropyl-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C4CC4
InChi [?]:
InChI=1/C22H26N2O5/c1-15(2)22(26)24(17-6-7-17)13-21(25)23(12-18-4-3-9-27-18)11-16-5-8-19-20(10-16)29-14-28-19/h3-5,8-10,15,17H,6-7,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,23,13,28,29,14,25,17,11,21,7,19,2,12,27,22,15,16,8,4,10,6,9,5,26,20,18/E:(1,2)(6,7)/rA:29nCCCCONCCONCCCCCCCOCOCCCCCOCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s10;s21;d22;s23;d24;s22s25;s6;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.4746
Area:597.152
Solvation:-5.45421
Coulombic:-55.4672
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.452
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.13
LogP (Chemaxon):2.4

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Descriptor Annotations

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