ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668404

Chemical ID:

7668404

Name [?]:

None

SMILES [?]:

Cc1ccccc1C(=O)NCCCN(C)C(=O)c2ccccc2C

InChi [?]:

InChI=1/C20H24N2O2/c1-15-9-4-6-11-17(15)19(23)21-13-8-14-22(3)20(24)18-12-7-5-10-16(18)2/h4-7,9-12H,8,13-14H2,1-3H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,24,15,4,21,5,20,12,3,22,6,19,11,13,2,23,7,18,8,16,10,14,9,17/rA:24nCCCCCCCCONCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s14;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₂
All Atoms:	48
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3264
Area:	560.696
Solvation:	-2.69103
Coulombic:	-41.7634

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.02
LogP (Chemaxon):	None

Name Annotations

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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