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Chemical ID: 6664697

Chemical ID:

6664697

Name [?]:

3-(2,5-dimethoxyphenyl)-1,1-dipropyl-urea

SMILES [?]:

CCCN(CCC)C(=O)Nc1cc(ccc1OC)OC

InChi [?]:

InChI=1/C15H24N2O3/c1-5-9-17(10-6-2)15(18)16-13-11-12(19-3)7-8-14(13)20-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,7,20,18,2,6,14,15,3,5,12,13,11,16,8,10,4,9,19,17/E:(1,2)(5,6)(9,10)/rA:20nCCCNCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄N₂O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.48066
Area:	503.311
Solvation:	-4.10212
Coulombic:	-45.1332

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	280.363
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.45
LogP (Chemaxon):	2.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value