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Chemical ID: 4725663
Chemical ID:
4725663
Name [?]:
N-[3-[(3-acetamidophenyl)methylaminomethyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cccc(c1)CNCc2cccc(c2)NC(=O)C
InChi [?]:
InChI=1/C18H21N3O2/c1-13(22)20-17-7-3-5-15(9-17)11-19-12-16-6-4-8-18(10-16)21-14(2)23/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,7,16,8,15,6,17,10,19,11,13,2,21,9,14,5,18,12,4,20,3,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(22,23)/gE:(1,2)/rA:23nCCONCCCCCCCNCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29402 |
Area: | 553.608 |
Solvation: | -4.54618 |
Coulombic: | -47.1035 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.378 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.33 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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