Chemical ID: 5776629

CC1(CC1)c2ccccc2NC(=O)c3ccc(cc3)OC
Chemical ID:
5776629
Name [?]:
4-methoxy-N-[2-(1-methylcyclopropyl)phenyl]-benzamide
SMILES [?]:
CC1(CC1)c2ccccc2NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19NO2/c1-18(11-12-18)15-5-3-4-6-16(15)19-17(20)13-7-9-14(21-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,7,8,6,9,15,19,16,18,3,4,14,17,5,10,12,2,11,13,20/E:(7,8)(9,10)(11,12)/rA:21nCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s2s3;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.03397
Area:479.208
Solvation:-2.94622
Coulombic:-30.6583
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):3.32

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue