Chemical ID: 6671891

CC(C)CC(C(=O)N)NC(=O)OCc1ccccc1
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

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