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Chemical ID: 6594805
Chemical ID:
6594805
Name [?]:
(cyclohexyl-methyl-carbamoyl)methyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N(C)C2CCCCC2
InChi [?]:
InChI=1/C18H24N2O4/c1-13(21)19-15-10-8-14(9-11-15)18(23)24-12-17(22)20(2)16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,22,21,23,20,24,7,9,6,10,14,2,8,5,19,15,11,4,17,3,16,12,13/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCONCCCCCCCOOCCONCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0306 |
Area: | 568.437 |
Solvation: | -4.18033 |
Coulombic: | -55.7409 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 332.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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