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Chemical ID: 7260939
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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