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Chemical ID: 5079804
Chemical ID:
5079804
Name [?]:
N-[4-(3-phenylpropyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)CCCc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-14(19)18-17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,12,15,19,13,11,7,9,6,10,2,14,8,5,4,3/E:(3,4)(6,7)(10,11)(12,13)/rA:19nCCONCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64931 |
Area: | 480.127 |
Solvation: | -2.35386 |
Coulombic: | -21.9827 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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