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Chemical ID: 5623458
Chemical ID:
5623458
Name [?]:
N-(4-butylphenyl)-3-methyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C18H21NO/c1-3-4-7-15-9-11-17(12-10-15)19-18(20)16-8-5-6-14(2)13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,16,17,4,15,6,10,7,9,19,18,5,14,8,12,11,13/E:(9,10)(11,12)/rA:20nCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8017 |
Area: | 499.969 |
Solvation: | -1.69749 |
Coulombic: | -24.5509 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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