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Chemical ID: 5445684
Chemical ID:
5445684
Name [?]:
butylcarbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CCCCNC(=O)COC(=O)c1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C15H20N2O4/c1-3-4-9-16-14(19)10-21-15(20)12-5-7-13(8-6-12)17-11(2)18/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,13,17,14,16,4,8,19,12,15,6,10,5,18,20,7,11,9/E:(5,6)(7,8)/rA:21nCCCCNCOCOCOCCCCCCNCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28514 |
Area: | 540.099 |
Solvation: | -4.21734 |
Coulombic: | -60.0879 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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