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Chemical ID: 6671891
Chemical ID:
6671891
Name [?]:
benzyl (1-carbamoyl-3-methyl-butyl)aminoformate
SMILES [?]:
CC(C)CC(C(=O)N)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H20N2O3/c1-10(2)8-12(13(15)17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,4,13,2,14,5,6,10,8,9,7,11,12/E:(1,2)(4,5)(6,7)/rA:19cCCCCCCONNCOOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.12656 |
Area: | 488.631 |
Solvation: | -3.08921 |
Coulombic: | -60.7057 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 264.32 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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