Chemical ID: 4994621

CCN(CC)CCC(=O)Nc1ccccc1C(=O)OCC
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

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