Chemical ID: 7119975

Cc1cc(cc(c1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)C
Chemical ID:
7119975
Name [?]:
1-[2-[(3,5-dimethylphenyl)carbamoyl]ethyl]-3,4,5,6-tetrahydro-2H-pyridine-4-carboxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CC[NH+]2CCC(CC2)C(=O)N)C
InChi [?]:
InChI=1/C17H25N3O2/c1-12-9-13(2)11-15(10-12)19-16(21)5-8-20-6-3-14(4-7-20)17(18)22/h9-11,14H,3-8H2,1-2H3,(H2,18,22)(H,19,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,15,17,11,14,18,12,3,7,5,2,4,16,6,9,19,21,8,13,10,20/E:(1,2)(3,4)(6,7)(10,11)(12,13)/rA:22nCCCCCCCNCOCCN+CCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N3O2+
All Atoms:48
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-21.9522
Area:531.059
Solvation:-35.2287
Coulombic:-10.2738
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.407
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.02
LogP (Chemaxon):1.54

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