Chemical ID: 7267910

CC(C(=O)NC1CCCc2c1cccc2)N(C)Cc3ccc(cc3)OC
Chemical ID:
7267910
Name [?]:
2-[(4-methoxyphenyl)methyl-methyl-amino]-N-tetralin-1-yl-propanamide
SMILES [?]:
CC(C(=O)NC1CCCc2c1cccc2)N(C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H28N2O2/c1-16(24(2)15-17-11-13-19(26-3)14-12-17)22(25)23-21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-14,16,21H,6,8,10,15H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,26,14,13,8,15,9,12,7,20,24,21,23,18,2,19,10,22,11,6,3,5,16,4,25/E:(11,12)(13,14)/rA:26cCCCONCCCCCCCCCCNCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;d11;s12;d13;d10s14;s2;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2
All Atoms:54
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:10.0842
Area:566.371
Solvation:-4.07508
Coulombic:-35.7462
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.47
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.97
LogP (Chemaxon):3.76

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