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Chemical ID: 4235740
Chemical ID:
4235740
Name [?]:
4-(3-cyclohexylpropanoylamino)benzamide
SMILES [?]:
c1cc(ccc1C(=O)N)NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C16H22N2O2/c17-16(20)13-7-9-14(10-8-13)18-15(19)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H2,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,14,1,5,2,4,13,15,6,3,11,7,9,10,12,8/E:(2,3)(4,5)(7,8)(9,10)/rA:20nCCCCCCCONNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55514 |
Area: | 491.219 |
Solvation: | -2.72533 |
Coulombic: | -46.9134 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.358 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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