Chemical ID: 5189945

CN(CCNC(=O)Nc1cccc(c1)OC)c2ccccc2
Chemical ID:
5189945
Name [?]:
3-(3-methoxyphenyl)-1-[2-(methyl-phenyl-amino)ethyl]urea
SMILES [?]:
CN(CCNC(=O)Nc1cccc(c1)OC)c2ccccc2
InChi [?]:
InChI=1/C17H21N3O2/c1-20(15-8-4-3-5-9-15)12-11-18-17(21)19-14-7-6-10-16(13-14)22-2/h3-10,13H,11-12H2,1-2H3,(H2,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,16,20,19,21,11,10,18,22,12,4,3,14,9,17,13,6,5,8,2,7,15/E:(4,5)(8,9)/rA:22cCNCCNCONCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s2;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.30487
Area:528.639
Solvation:-3.91111
Coulombic:-49.0664
Bond Count [?]
All:23
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.368
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):3.23

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Descriptor Annotations

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