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Chemical ID: 4759905
Chemical ID:
4759905
Name [?]:
tert-butyl [1-(methylcarbamoyl)-2-phenyl-ethyl]aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC
InChi [?]:
InChI=1/C15H22N2O3/c1-15(2,3)20-14(19)17-12(13(18)16-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,14,13,15,12,16,10,11,9,17,6,2,19,8,18,7,5/E:(1,2,3)(6,7)(8,9)/rA:20cCCCCOCONCCCCCCCCCONC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.29681 |
Area: | 491.856 |
Solvation: | -2.9996 |
Coulombic: | -55.7629 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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