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Chemical ID: 4666304
Chemical ID:
4666304
Name [?]:
N-(1-phenylpentyl)benzamide
SMILES [?]:
CCCCC(c1ccccc1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C18H21NO/c1-2-3-14-17(15-10-6-4-7-11-15)19-18(20)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,18,8,10,17,19,7,11,16,20,4,6,15,5,13,12,14/E:(6,7)(8,9)(10,11)(12,13)/rA:20cCCCCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6178 |
Area: | 498.91 |
Solvation: | -1.85497 |
Coulombic: | -26.2656 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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