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Chemical ID: 4994621
Chemical ID:
4994621
Name [?]:
ethyl 2-(3-diethylaminopropanoylamino)benzoate
SMILES [?]:
CCN(CC)CCC(=O)Nc1ccccc1C(=O)OCC
InChi [?]:
InChI=1/C16H24N2O3/c1-4-18(5-2)12-11-15(19)17-14-10-8-7-9-13(14)16(20)21-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,21,2,4,20,14,13,15,12,7,6,16,11,8,17,10,3,9,18,19/E:(1,2)(4,5)/rA:21nCCNCCCCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7625 |
Area: | 530.285 |
Solvation: | -2.49459 |
Coulombic: | -45.653 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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