Chemical ID: 3995812

CCNCC(=O)Nc1ccc(cc1)NC(=O)C
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

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Descriptor Annotations

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