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Chemical ID: 4350423
Chemical ID:
4350423
Name [?]:
4-cyclohexylcarbonylaminobenzamide
SMILES [?]:
c1cc(ccc1C(=O)N)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H18N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,1,5,2,4,6,13,3,7,11,9,10,8,12/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCONNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30554 |
Area: | 437.557 |
Solvation: | -2.63339 |
Coulombic: | -46.8491 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.305 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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