Chemical ID: 7260939

CCN(c1ccc(cc1)NC(=O)c2ccccc2)C(C)C
Chemical ID:
7260939
Name [?]:
N-[4-(ethyl-isopropyl-amino)phenyl]benzamide
SMILES [?]:
CCN(c1ccc(cc1)NC(=O)c2ccccc2)C(C)C
InChi [?]:
InChI=1/C18H22N2O/c1-4-20(14(2)3)17-12-10-16(11-13-17)19-18(21)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,16,15,17,14,18,6,8,5,9,19,13,7,4,11,10,3,12/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:21cCCNCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s3;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O
All Atoms:43
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.3488
Area:496.068
Solvation:-2.05287
Coulombic:-29.6939
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.38
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.51
LogP (Chemaxon):4.46

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