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Chemical ID: 6351235
Chemical ID:
6351235
Name [?]:
N,N-dipentylbenzamide
SMILES [?]:
CCCCCN(CCCCC)C(=O)c1ccccc1
InChi [?]:
InChI=1/C17H27NO/c1-3-5-10-14-18(15-11-6-4-2)17(19)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,10,3,9,17,16,18,4,8,15,19,5,7,14,12,6,13/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:19nCCCCCNCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s6;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2785 |
Area: | 508.768 |
Solvation: | -1.44074 |
Coulombic: | -21.2579 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.41 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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