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Chemical ID: 7289699
Chemical ID:
7289699
Name [?]:
2-[(4-isopropylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)COc2ccccc2C(=O)N
InChi [?]:
InChI=1/C18H20N2O3/c1-12(2)13-7-9-14(10-8-13)20-17(21)11-23-16-6-4-3-5-15(16)18(19)22/h3-10,12H,11H2,1-2H3,(H2,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,5,9,6,8,13,2,4,7,20,15,11,21,23,10,12,22,14/E:(1,2)(7,8)(9,10)/rA:23nCCCCCCCCCNCOCOCCCCCCCON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27933 |
Area: | 532.53 |
Solvation: | -6.03393 |
Coulombic: | -53.2937 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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