Chemical ID: 5519037

COc1ccc(cc1OC)C(=O)NCC(=O)NCCc2c[nH]c3c2cccc3
Chemical ID:
5519037
Name [?]:
N-[2-(1H-indol-3-yl)ethylcarbamoylmethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NCC(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C21H23N3O4/c1-27-18-8-7-14(11-19(18)28-2)21(26)24-13-20(25)22-10-9-15-12-23-17-6-4-3-5-16(15)17/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,22,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,10,26,27,25,28,5,4,19,18,7,21,14,6,20,24,23,3,8,15,11,17,22,13,16,12,2,9/rA:28nCOCCCCCCOCCONCCONCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;s22;s20s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.2988
Area:635.726
Solvation:-6.59435
Coulombic:-67.5773
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:381.425
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.1
LogP (Chemaxon):1.79

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