ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6322530

Chemical ID:

6322530

Name [?]:

N-(3-dimethylaminopropyl)-2,6-dimethoxy-benzamide

SMILES [?]:

CN(C)CCCNC(=O)c1c(cccc1OC)OC

InChi [?]:

InChI=1/C14H22N2O3/c1-16(2)10-6-9-15-14(17)13-11(18-3)7-5-8-12(13)19-4/h5,7-8H,6,9-10H2,1-4H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,3,17,19,13,5,14,12,6,4,15,11,10,8,7,2,9,16,18/E:(1,2)(3,4)(7,8)(11,12)(18,19)/rA:19nCNCCCCNCOCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₂N₂O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.05248
Area:	488.851
Solvation:	-5.16878
Coulombic:	-40.5811

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	266.336
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.47
LogP (Chemaxon):	0.47

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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