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Chemical ID: 4677951
Chemical ID:
4677951
Name [?]:
4-methyl-N-(1-phenylpentyl)benzamide
SMILES [?]:
CCCCC(c1ccccc1)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C19H23NO/c1-3-4-10-18(16-8-6-5-7-9-16)20-19(21)17-13-11-15(2)12-14-17/h5-9,11-14,18H,3-4,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,9,8,10,7,11,4,17,19,16,20,18,6,15,5,13,12,14/E:(6,7)(8,9)(11,12)(13,14)/rA:21cCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2608 |
Area: | 515.776 |
Solvation: | -1.63364 |
Coulombic: | -26.1913 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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