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Chemical ID: 6005055

CCN(CC)CCCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2cc(cc(c2)OC)OC

Chemical ID:

6005055

Name [?]:

N-(4-diethylamino-1-methyl-butyl)-3,5-dimethoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide

SMILES [?]:

CCN(CC)CCCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2cc(cc(c2)OC)OC

InChi [?]:

InChI=1/C24H36N4O5/c1-7-27(8-2)11-9-10-17(3)28(16-23(29)25-22-12-18(4)33-26-22)24(30)19-13-20(31-5)15-21(14-19)32-6/h12-15,17H,7-11,16H2,1-6H3,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,5,10,21,31,33,2,4,7,8,6,17,29,25,27,12,9,18,24,28,26,16,13,22,15,20,3,11,14,23,30,32,19/E:(1,2)(5,6)(7,8)(13,14)(20,21)(31,32)/rA:33cCCNCCCCCCCNCCONCCCONCCOCCCCCCOCOC/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;s28;s30;s26;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₆N₄O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.778
Area:	702.593
Solvation:	-6.78677
Coulombic:	-59.3926

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	460.567
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.3
LogP (Chemaxon):	1.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value