Chemical ID: 6005245

CCN(CC)CCN(CC(=O)Nc1cc(on1)C)C(=O)c2cc(cc(c2)OC)OC
Chemical ID:
6005245
Name [?]:
N-(2-diethylaminoethyl)-3,5-dimethoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC)CCN(CC(=O)Nc1cc(on1)C)C(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C21H30N4O5/c1-6-24(7-2)8-9-25(14-20(26)22-19-10-15(3)30-23-19)21(27)16-11-17(28-4)13-18(12-16)29-5/h10-13H,6-9,14H2,1-5H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,18,28,30,2,4,6,7,14,26,22,24,9,15,21,25,23,13,10,19,12,17,3,8,11,20,27,29,16/E:(1,2)(4,5)(6,7)(11,12)(17,18)(28,29)/rA:30nCCNCCCCNCCONCCCONCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d13s16;s15;s8;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s23;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N4O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.8551
Area:611.445
Solvation:-6.43102
Coulombic:-58.4095
Bond Count [?]
All:31
Single:24
Double:7
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:418.487
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.12
LogP (Chemaxon):1.36

Name Annotations

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Descriptor Annotations

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