Chemical ID: 6005076

CCN(CC)CCCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2ccccc2OC
Chemical ID:
6005076
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-methoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC)CCCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C23H34N4O4/c1-6-26(7-2)14-10-11-17(3)27(16-22(28)24-21-15-18(4)31-25-21)23(29)19-12-8-9-13-20(19)30-5/h8-9,12-13,15,17H,6-7,10-11,14,16H2,1-5H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,21,31,2,4,26,27,7,8,25,28,6,17,12,9,18,24,29,16,13,22,15,20,3,11,14,23,30,19/E:(1,2)(6,7)/rA:31cCCNCCCCCCCNCCONCCCONCCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d16s19;s18;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H34N4O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.5506
Area:674.912
Solvation:-6.32223
Coulombic:-53.1689
Bond Count [?]
All:32
Single:25
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:430.541
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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