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Chemical ID: 6304291
Chemical ID:
6304291
Name [?]:
N-cyclopentyl-4-[(4-ethylphenoxy)methyl]benzamide
SMILES [?]:
CCc1ccc(cc1)OCc2ccc(cc2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C21H25NO2/c1-2-16-9-13-20(14-10-16)24-15-17-7-11-18(12-8-17)21(23)22-19-5-3-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,24,12,16,4,8,13,15,5,7,10,3,11,14,20,6,17,19,18,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCCOCCCCCCCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2524 |
Area: | 572.712 |
Solvation: | -3.0654 |
Coulombic: | -32.4288 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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