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Chemical ID: 4990082
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
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Experimental Annotations
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Descriptor Annotations
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