Chemical ID: 4444157

Cc1ccc(cc1)C(=O)NCCNC(=O)c2ccccc2
Chemical ID:
4444157
Name [?]:
N-(2-benzamidoethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCNC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H18N2O2/c1-13-7-9-15(10-8-13)17(21)19-12-11-18-16(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,3,7,4,6,12,11,2,16,5,14,8,13,10,15,9/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCONCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.2412
Area:518.158
Solvation:-2.71276
Coulombic:-46.2038
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:282.337
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):2.18

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Descriptor Annotations

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