Chemical ID: 7279196

COc1ccccc1NC(=O)NCCC(=O)N2CCCC2
Chemical ID:
7279196
Name [?]:
1-(2-methoxyphenyl)-3-(2-pyrrolidin-1-ylcarbonylethyl)urea
SMILES [?]:
COc1ccccc1NC(=O)NCCC(=O)N2CCCC2
InChi [?]:
InChI=1/C15H21N3O3/c1-21-13-7-3-2-6-12(13)17-15(20)16-9-8-14(19)18-10-4-5-11-18/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,19,20,7,4,14,13,18,21,8,3,15,10,12,9,17,16,11,2/E:(4,5)(10,11)/rA:21nCOCCCCCCNCONCCCONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N3O3
All Atoms:42
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.61796
Area:510.195
Solvation:-4.13691
Coulombic:-57.3203
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.346
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.81
LogP (Chemaxon):0.77

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Descriptor Annotations

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