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Chemical ID: 7438861
Chemical ID:
7438861
Name [?]:
N-[1-(4-hydroxyphenyl)ethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C)c2ccc(cc2)O
InChi [?]:
InChI=1/C16H17NO2/c1-11-3-5-14(6-4-11)16(19)17-12(2)13-7-9-15(18)10-8-13/h3-10,12,18H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,4,6,14,18,15,17,2,11,13,5,16,8,10,19,9/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCCCCCONCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.96989 |
Area: | 464.881 |
Solvation: | -2.65213 |
Coulombic: | -40.1315 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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