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Chemical ID: 5569808
Chemical ID:
5569808
Name [?]:
3-phenylpropylcarbamoylmethyl 4-dimethylaminobenzoate
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)OCC(=O)NCCCc2ccccc2
InChi [?]:
InChI=1/C20H24N2O3/c1-22(2)18-12-10-17(11-13-18)20(24)25-15-19(23)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,18,21,25,19,6,8,5,9,17,13,20,7,4,14,10,16,2,15,11,12/E:(1,2)(4,5)(7,8)(10,11)(12,13)/rA:25nCNCCCCCCCCOOCCONCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.489 |
Area: | 609.214 |
Solvation: | -3.7413 |
Coulombic: | -49.1179 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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