Chemical ID: 6565310

CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc2cc(cc(c2)C)C
Chemical ID:
6565310
Name [?]:
(3,5-dimethylphenyl)carbamoylmethyl 4-diethylaminobenzoate
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C21H26N2O3/c1-5-23(6-2)19-9-7-17(8-10-19)21(25)26-14-20(24)22-18-12-15(3)11-16(4)13-18/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,25,26,2,4,8,10,7,11,22,24,20,15,23,21,9,19,6,16,12,18,3,17,13,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:26nCCNCCCCCCCCCOOCCONCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8119
Area:615.137
Solvation:-3.56656
Coulombic:-47.4919
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:354.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.62
LogP (Chemaxon):4.56

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