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Chemical ID: 4199576
Chemical ID:
4199576
Name [?]:
2-phenyl-N-(3-phenylpropyl)acetamide
SMILES [?]:
c1ccc(cc1)CCCNC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c19-17(14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,8,3,5,15,19,7,9,13,4,14,11,10,12/E:(3,4)(5,6)(8,9)(10,11)/rA:19nCCCCCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;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: | 9.71245 |
Area: | 487.371 |
Solvation: | -2.47183 |
Coulombic: | -23.5116 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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