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Chemical ID: 3995812
Chemical ID:
3995812
Name [?]:
N-[4-(2-ethylaminoacetyl)aminophenyl]acetamide
SMILES [?]:
CCNCC(=O)Nc1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C12H17N3O2/c1-3-13-8-12(17)15-11-6-4-10(5-7-11)14-9(2)16/h4-7,13H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,10,12,9,13,4,15,11,8,5,3,14,7,16,6/E:(4,5)(6,7)/rA:17nCCNCCONCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N3O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.1553 |
Area: | 445.92 |
Solvation: | -3.9927 |
Coulombic: | -46.836 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.282 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.18 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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