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Chemical ID: 5506499
Chemical ID:
5506499
Name [?]:
N-[(4-methoxyphenyl)methyl]-4-propanoylamino-benzamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O3/c1-3-17(21)20-15-8-6-14(7-9-15)18(22)19-12-13-4-10-16(23-2)11-5-13/h4-11H,3,12H2,1-2H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,17,21,8,10,7,11,18,20,15,16,9,6,19,3,12,14,5,4,13,22/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCONCCCCCCCONCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34521 |
Area: | 549.125 |
Solvation: | -4.38292 |
Coulombic: | -49.4904 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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