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Chemical ID: 6137546
Chemical ID:
6137546
Name [?]:
N'-(4-chlorophenyl)-N-(3-isopropoxypropyl)oxamide
SMILES [?]:
CC(C)OCCCNC(=O)C(=O)Nc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H19ClN2O3/c1-10(2)20-9-3-8-16-13(18)14(19)17-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,6,16,18,15,19,7,5,2,17,14,9,11,20,8,13,10,12,4/E:(1,2)(4,5)(6,7)/rA:20nCCCOCCCNCOCONCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClN2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.301 |
Area: | 538.169 |
Solvation: | -3.15322 |
Coulombic: | -54.8581 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.765 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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