ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7513754

Chemical ID:

7513754

Name [?]:

N-(2,4-dimethylphenyl)-N'-methyl-butanediamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)CCC(=O)NC

InChi [?]:

InChI=1/C13H18N2O2/c1-9-4-5-11(10(2)8-9)15-13(17)7-6-12(16)14-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,8,17,3,4,13,12,7,2,6,5,14,10,16,9,15,11/rA:17nCCCCCCCCNCOCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O₂
All Atoms:	35
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	8.38868
Area:	445.759
Solvation:	-2.7553
Coulombic:	-39.5549

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.1
LogP (Chemaxon):	None

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