Chemical ID: 6322516

Cc1ccc(cc1)C(=O)NCCCN(C)C
Chemical ID:
6322516
Name [?]:
N-(3-dimethylaminopropyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCCN(C)C
InChi [?]:
InChI=1/C13H20N2O/c1-11-5-7-12(8-6-11)13(16)14-9-4-10-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,15,16,12,3,7,4,6,11,13,2,5,8,10,14,9/E:(2,3)(5,6)(7,8)/rA:16nCCCCCCCCONCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.02679
Area:442.175
Solvation:-2.02758
Coulombic:-27.9429
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):1.44

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Descriptor Annotations

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