Chemical ID: 4990082

CCCCNc1cccc(c1)C(=O)OCCNCC(C)C
Chemical ID:
4990082
Name [?]:
2-isobutylaminoethyl 3-butylaminobenzoate
SMILES [?]:
CCCCNc1cccc(c1)C(=O)OCCNCC(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-4-5-9-19-16-8-6-7-15(12-16)17(20)21-11-10-18-13-14(2)3/h6-8,12,14,18-19H,4-5,9-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,3,8,9,7,4,16,15,11,18,19,10,6,12,17,5,13,14/E:(2,3)/rA:21nCCCCNCCCCCCCOOCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:12.0828
Area:566.492
Solvation:-2.0795
Coulombic:-42.4675
Bond Count [?]
All:21
Single:17
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.417
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):3.21

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