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Chemical ID: 6313174

Cc1ccc(cc1)NC(=O)N(Cc2cccc(c2OC)OC)C3CCCC3

Chemical ID:

6313174

Name [?]:

1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-(p-tolyl)urea

SMILES [?]:

Cc1ccc(cc1)NC(=O)N(Cc2cccc(c2OC)OC)C3CCCC3

InChi [?]:

InChI=1/C22H28N2O3/c1-16-11-13-18(14-12-16)23-22(25)24(19-8-4-5-9-19)15-17-7-6-10-20(26-2)21(17)27-3/h6-7,10-14,19H,4-5,8-9,15H2,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,22,20,25,26,15,14,24,27,16,3,7,4,6,12,2,13,5,23,17,18,9,8,11,10,21,19/E:(4,5)(8,9)(11,12)(13,14)/rA:27nCCCCCCCNCONCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s11;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.73754
Area:	579.026
Solvation:	-4.73809
Coulombic:	-46.8544

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.469
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.03
LogP (Chemaxon):	4.52

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